From 7a5dd34414357aa7807f1b1c0c30cbe1e3d75c15 Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Mon, 23 Feb 2026 12:21:00 -0600 Subject: [PATCH 001/259] Move get times and rates into MoSDeN --- mosden/base.py | 61 ++++++++++++++++++++++++++++++++++ mosden/concentrations.py | 12 +++---- mosden/templates/omc_run.jinja | 57 ++----------------------------- 3 files changed, 68 insertions(+), 62 deletions(-) diff --git a/mosden/base.py b/mosden/base.py index 786c0087..106772ab 100644 --- a/mosden/base.py +++ b/mosden/base.py @@ -165,6 +165,67 @@ def time_track(self, starttime: float, modulename: str = '') -> None: self.logger.info(f'{modulename} took {round(time() - starttime, 3)}s') return None + def _get_times_and_rates(self, f_in: float = 1.0) -> tuple[list[float], list[float], list[int]]: + """ + Calculates the time steps to evaluate in OpenMC, the source rates + to use at each time step, and the chemical removal indeces where + removal occurs. + + Parameters + ---------- + f_in : float (optional) + Only required if the flux is scaled. The in-core salt fraction. + + Returns + ------- + timesteps : list[float] + The time steps for evaluation in OpenMC + source_rates : list[float] + The flux value applied to the sample at each point in time + removal_indeces : list[int] + The time indeces where removal occurs + """ + removal_indeces = list() + timesteps = list() + source_rates = list() + current_time = 0 + index_counter = 0 + in_core = True + time_close = np.isclose(current_time, self.t_net) + while current_time < self.t_net and not time_close: + if in_core: + t = self.t_in + region = 'incore' + source = self.openmc_settings['source'] + in_core = False + else: + t = self.t_ex + region = 'excore' + source = 0 + in_core = True + + if t <= 0.0: + continue + + current_time += t + timesteps.append(t) + if (region in self.reprocess_locations) or self.chem_scaling: + removal_indeces.append(index_counter) + if self.flux_scaling: + source = self.openmc_settings['source'] * f_in + source_rates.append(source) + index_counter += 1 + time_close = np.isclose(current_time, self.t_net) + + diff = sum(timesteps) - self.t_net + timesteps[-1] = timesteps[-1] - diff + + decay_time_steps = np.diff(self.decay_times, prepend=[0.0]) + for t in decay_time_steps: + timesteps.append(t) + source_rates.append(0) + return timesteps, source_rates, removal_indeces + def _set_decay_times(self) -> np.ndarray[float]: """ Set the decay times based on the time spacing, final time, and diff --git a/mosden/concentrations.py b/mosden/concentrations.py index e02b88fc..714a5837 100644 --- a/mosden/concentrations.py +++ b/mosden/concentrations.py @@ -157,6 +157,7 @@ def OMC_concentrations(self) -> list[dict[str, float]]: chain_file = os.path.join(self.unprocessed_data_dir, self.openmc_settings['chain']) cross_sections = os.path.join(self.unprocessed_data_dir, self.openmc_settings['x_sections']) omc_dir = self.openmc_settings['omc_dir'] + timesteps, source_rates, removal_indeces = self._get_times_and_rates(self.f_in) render_data = { 'nps': self.openmc_settings['nps'], 'mode': self.openmc_settings['mode'], @@ -167,19 +168,14 @@ def OMC_concentrations(self) -> list[dict[str, float]]: 'density': self.density_g_cc, 'temperature': self.temperature_K, 'fissiles': self.fissiles, - 't_in': self.t_in, - 't_ex': self.t_ex, - 'total_irrad_s': self.t_net, - 'decay_times': self.decay_times, - 'repr_locations': self.reprocess_locations, 'reprocessing': self.reprocessing, 'repr_scale': self.repr_scale, 'chain_file': chain_file, 'cross_sections': cross_sections, 'omc_dir': omc_dir, - 'flux_scaling': self.flux_scaling, - 'chem_scaling': self.chem_scaling, - 'f_in': self.f_in + 'timesteps': timesteps, + 'source_rates': source_rates, + 'removal_indeces': removal_indeces } rendered_template = template.render(render_data) fname = 'omc.py' diff --git a/mosden/templates/omc_run.jinja b/mosden/templates/omc_run.jinja index 46acb3ff..4e79ba67 100644 --- a/mosden/templates/omc_run.jinja +++ b/mosden/templates/omc_run.jinja @@ -17,20 +17,13 @@ dens_g_cm3 = {{density}} temperature_K = {{temperature}} fissiles = {{fissiles}} xs_data = '{{cross_sections}}' -t_in: float = {{t_in}} -t_ex: float = {{t_ex}} -t_net: float = {{total_irrad_s}} -decay_times: np.ndarray[float] = [{{decay_times | join(', ')}}] -reprocess_locations: list[str] = {{repr_locations}} -flux = {{source}} chain_file = '{{chain_file}}' reprocessing = {{reprocessing}} repr_scale = {{repr_scale}} omc_dir = '{{omc_dir}}' -flux_scaling: bool = {{flux_scaling}} -chem_scaling: bool = {{chem_scaling}} -f_in : float = {{f_in}} - +ts = {{timesteps}} +sources = {{source_rates}} +chem_times = {{removal_indeces}} volume = mass_g / dens_g_cm3 radius = (mass_g * volume / (4 * np.pi)) ** (1/3) @@ -133,49 +126,6 @@ def build_model(settings, materials, geometry, tallies): return model -def get_times_and_rates(): - removal_indeces = list() - timesteps = list() - source_rates = list() - current_time = 0 - index_counter = 0 - in_core = True - time_close = np.isclose(current_time, t_net) - while current_time < t_net and not time_close: - if in_core: - t = t_in - region = 'incore' - source = flux - in_core = False - else: - t = t_ex - region = 'excore' - source = 0 - in_core = True - - if t <= 0.0: - continue - - current_time += t - timesteps.append(t) - if (region in reprocess_locations) or chem_scaling: - removal_indeces.append(index_counter) - if flux_scaling: - source = flux * f_in - source_rates.append(source) - index_counter += 1 - time_close = np.isclose(current_time, t_net) - - diff = sum(timesteps) - t_net - timesteps[-1] = timesteps[-1] - diff - - decay_time_steps = np.diff(decay_times, prepend=[0.0]) - for t in decay_time_steps: - timesteps.append(t) - source_rates.append(0) - return timesteps, source_rates, removal_indeces - - def run(): tally = tallies() mats = materials() @@ -183,7 +133,6 @@ def run(): sets = settings() model = build_model(sets, mats, geom, tally) - ts, sources, chem_times = get_times_and_rates() operator = openmc.deplete.CoupledOperator(model, chain_file, normalization_mode='source-rate') operator.output_dir = omc_dir From 7abdf721530d0057c7f8fe3e0181a6d9013e9ac9 Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Mon, 23 Feb 2026 12:57:03 -0600 Subject: [PATCH 002/259] Develop insitu residual handling --- mosden/base.py | 31 +++++++++++++++++------ mosden/concentrations.py | 8 +++--- mosden/utils/defaults.py | 1 + mosden/utils/input_handler.py | 2 ++ tests/unit/test_base.py | 47 +++++++++++++++++++++++++++++++++++ 5 files changed, 77 insertions(+), 12 deletions(-) diff --git a/mosden/base.py b/mosden/base.py index 106772ab..e8006f68 100644 --- a/mosden/base.py +++ b/mosden/base.py @@ -103,6 +103,7 @@ def __init__(self, input_path: str) -> None: self.temperature_K: float = data_options.get('temperature_K', 920) self.density_g_cc: float = data_options.get('density_g_cm3', 2.3275) self.openmc_settings: dict = modeling_options.get('openmc_settings', {}) + self.residual_masks: list[str] = modeling_options.get('residual_handling', ["post-irrad"]) self.count_overwrite: bool = overwrite_options.get('count_rate', False) @@ -165,7 +166,7 @@ def time_track(self, starttime: float, modulename: str = '') -> None: self.logger.info(f'{modulename} took {round(time() - starttime, 3)}s') return None - def _get_times_and_rates(self, f_in: float = 1.0) -> tuple[list[float], list[float], list[int]]: + def _get_times_and_rates(self, f_in: float = 1.0) -> dict[str, list[float|int]]: """ Calculates the time steps to evaluate in OpenMC, the source rates to use at each time step, and the chemical removal indeces where @@ -178,31 +179,36 @@ def _get_times_and_rates(self, f_in: float = 1.0) -> tuple[list[float], list[flo Returns ------- - timesteps : list[float] - The time steps for evaluation in OpenMC - source_rates : list[float] - The flux value applied to the sample at each point in time - removal_indeces : list[int] - The time indeces where removal occurs + time_rate_data : dict[str, list[float|int]] + Keys are names for different datasets, values are the time-dependent + data. Keys include `timesteps`, `source_rates`, `removal_indeces`, + and `insitu_mask` """ + time_rate_data = dict() removal_indeces = list() timesteps = list() source_rates = list() + insitu_residual_mask = list() current_time = 0 index_counter = 0 in_core = True time_close = np.isclose(current_time, self.t_net) while current_time < self.t_net and not time_close: + mask_val = 0 if in_core: t = self.t_in region = 'incore' source = self.openmc_settings['source'] in_core = False + if 'incore' in self.residual_masks: + mask_val = 1 else: t = self.t_ex region = 'excore' source = 0 in_core = True + if 'excore' in self.residual_masks: + mask_val = 1 if t <= 0.0: continue @@ -216,6 +222,9 @@ def _get_times_and_rates(self, f_in: float = 1.0) -> tuple[list[float], list[flo source_rates.append(source) index_counter += 1 time_close = np.isclose(current_time, self.t_net) + if 'all' in self.residual_masks: + mask_val = 1 + insitu_residual_mask.append(mask_val) diff = sum(timesteps) - self.t_net timesteps[-1] = timesteps[-1] - diff @@ -224,7 +233,13 @@ def _get_times_and_rates(self, f_in: float = 1.0) -> tuple[list[float], list[flo for t in decay_time_steps: timesteps.append(t) source_rates.append(0) - return timesteps, source_rates, removal_indeces + + time_rate_data['timesteps'] = timesteps + time_rate_data['source_rates'] = source_rates + time_rate_data['removal_indeces'] = removal_indeces + time_rate_data['insitu_mask'] = insitu_residual_mask + return time_rate_data + def _set_decay_times(self) -> np.ndarray[float]: """ diff --git a/mosden/concentrations.py b/mosden/concentrations.py index 714a5837..e3a28e0b 100644 --- a/mosden/concentrations.py +++ b/mosden/concentrations.py @@ -157,7 +157,7 @@ def OMC_concentrations(self) -> list[dict[str, float]]: chain_file = os.path.join(self.unprocessed_data_dir, self.openmc_settings['chain']) cross_sections = os.path.join(self.unprocessed_data_dir, self.openmc_settings['x_sections']) omc_dir = self.openmc_settings['omc_dir'] - timesteps, source_rates, removal_indeces = self._get_times_and_rates(self.f_in) + time_rate_data = self._get_times_and_rates(self.f_in) render_data = { 'nps': self.openmc_settings['nps'], 'mode': self.openmc_settings['mode'], @@ -173,9 +173,9 @@ def OMC_concentrations(self) -> list[dict[str, float]]: 'chain_file': chain_file, 'cross_sections': cross_sections, 'omc_dir': omc_dir, - 'timesteps': timesteps, - 'source_rates': source_rates, - 'removal_indeces': removal_indeces + 'timesteps': time_rate_data['timesteps'], + 'source_rates': time_rate_data['source_rates'], + 'removal_indeces': time_rate_data['removal_indeces'] } rendered_template = template.render(render_data) fname = 'omc.py' diff --git a/mosden/utils/defaults.py b/mosden/utils/defaults.py index c26be26c..c0dcccde 100644 --- a/mosden/utils/defaults.py +++ b/mosden/utils/defaults.py @@ -42,6 +42,7 @@ "modeling_options": { "concentration_handling": "CFY", "count_rate_handling": "data", + "residual_handling": ["post-irrad"], "reprocessing_locations": [""], "spatial_scaling": { "flux": True, diff --git a/mosden/utils/input_handler.py b/mosden/utils/input_handler.py index b9f240c7..bd0b622d 100644 --- a/mosden/utils/input_handler.py +++ b/mosden/utils/input_handler.py @@ -129,6 +129,8 @@ def _check_if_in_options(item, options): raise ValueError('Initial yield guess does not match number of groups') if len(data['group_options']['initial_params']['half_lives']) != data['group_options']['num_groups']: raise ValueError('Initial half life guess does not match number of groups') + if len(data['modeling_options']['residual_handling']) == 0: + raise ValueError('Residual must be evaluated') return diff --git a/tests/unit/test_base.py b/tests/unit/test_base.py index 9ad194bb..85ac164a 100644 --- a/tests/unit/test_base.py +++ b/tests/unit/test_base.py @@ -90,3 +90,50 @@ def test_irrad_and_update(): index = base.get_irrad_index(False) assert index == 55 +def test_times_rates_mask(): + input_path = './tests/unit/input/input.json' + base = BaseClass(input_path) + base.t_in = 1 + base.t_ex = 1 + base.t_net = 10 + base.flux_scaling = False + assert not base.flux_scaling + data = base._get_times_and_rates() + + assert data['timesteps'][:10] == [1]*10 + assert data['source_rates'][:10] == [1.0, 0]*5 + assert data['removal_indeces'][:10] == list(np.arange(0, 10)) + assert data['insitu_mask'] == [0]*10 + + base.residual_masks = ['post-irrad'] + data = base._get_times_and_rates() + + assert data['timesteps'][:10] == [1]*10 + assert data['source_rates'][:10] == [1.0, 0]*5 + assert data['removal_indeces'][:10] == list(np.arange(0, 10)) + assert data['insitu_mask'] == [0]*10 + + base.residual_masks = ['incore'] + data = base._get_times_and_rates() + + assert data['timesteps'][:10] == [1]*10 + assert data['source_rates'][:10] == [1.0, 0]*5 + assert data['removal_indeces'][:10] == list(np.arange(0, 10)) + assert data['insitu_mask'] == [1,0]*5 + + base.residual_masks = ['excore'] + data = base._get_times_and_rates() + + assert data['timesteps'][:10] == [1]*10 + assert data['source_rates'][:10] == [1.0, 0]*5 + assert data['removal_indeces'][:10] == list(np.arange(0, 10)) + assert data['insitu_mask'] == [0,1]*5 + + + base.residual_masks = ['all'] + data = base._get_times_and_rates() + + assert data['timesteps'][:10] == [1]*10 + assert data['source_rates'][:10] == [1.0, 0]*5 + assert data['removal_indeces'][:10] == list(np.arange(0, 10)) + assert data['insitu_mask'] == [1]*10 From 45e22ffeb4b96aeb21cb78792afc16eaeb141fd9 Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Mon, 23 Feb 2026 13:03:34 -0600 Subject: [PATCH 003/259] Add new residual handling to input schema --- mosden/templates/input_schema.json | 8 ++++++++ 1 file changed, 8 insertions(+) diff --git a/mosden/templates/input_schema.json b/mosden/templates/input_schema.json index 0535643a..070a7602 100644 --- a/mosden/templates/input_schema.json +++ b/mosden/templates/input_schema.json @@ -146,6 +146,14 @@ "description": "Method to use for calculating the delayed neutron count rate. This can either be from data or using existing group parameters from a MoSDeN output", "enum": ["data", "groupfit"] }, + "residual_handling": { + "type": "array", + "description": "Which data to include in residual calculation. Default is post-irradiation `post-irrad` only. `in-core` means to include the residual solve only while the sample is in the core. `all` means to include the residual at all times during and post irradiation.", + "items": { + "type": "string", + "enum": ["post-irrad", "incore", "excore", "all"] + } + }, "reprocessing_locations": { "type": "array", "description": "The locations where the reprocessing scheme provided occurs (NOTE: MoSDeN currently assumes all provided reprocessing parameters occur in the same spatial region", From 652a8cfc4bf140fb976b41d1ad11f8365799ec7c Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Mon, 23 Feb 2026 13:33:44 -0600 Subject: [PATCH 004/259] Update count rate to give more data if needed based on residual --- mosden/countrate.py | 48 +++++++++++++++++++++++++++-------- mosden/utils/input_handler.py | 2 ++ 2 files changed, 39 insertions(+), 11 deletions(-) diff --git a/mosden/countrate.py b/mosden/countrate.py index 43c764fc..e55cc0c8 100644 --- a/mosden/countrate.py +++ b/mosden/countrate.py @@ -154,10 +154,7 @@ def sample_parameter(val: ufloat, dist: str) -> float: return np.random.uniform(val.n - val.s, val.n + val.s) else: raise NotImplementedError(f'{dist} sampling not implemented') - - data: dict[str: list[float]] = dict() - count_rate: np.ndarray = np.zeros(len(self.decay_times)) - sigma_count_rate: np.ndarray = np.zeros(len(self.decay_times)) + emission_nucs = list(self.emission_prob_data.keys()) half_life_nucs = list(self.half_life_data.keys()) @@ -178,6 +175,28 @@ def sample_parameter(val: ufloat, dist: str) -> float: raise Exception( 'Error: no data exists for given data combination') + data: dict[str: list[float]] = dict() + post_irrad_only = len(self.residual_masks) == 1 and 'post-irrad' in self.residual_masks + no_post_irrad = 'post-irrad' not in self.residual_masks + if post_irrad_only: + use_times = self.decay_times + else: + mask_data = self._get_times_and_rates() + use_times = np.concatenate(([0], np.cumsum(mask_data['timesteps']))) + + num_data = len(list(self.concentration_data[net_similar_nucs[-1]].values())[0]) + single_time_val = False + if num_data == 1: + single_time_val = True + post_irrad_index = self.get_irrad_index(single_time_val) + + if no_post_irrad: + use_times = use_times[:post_irrad_index] + + count_rate: np.ndarray = np.zeros(len(use_times)) + sigma_count_rate: np.ndarray = np.zeros(len(use_times)) + + Pn_post_data = dict() lam_post_data = dict() conc_post_data = dict() @@ -205,8 +224,6 @@ def sample_parameter(val: ufloat, dist: str) -> float: vals.append(val) uncertainties.append(uncertainty) concentration_array = unumpy.uarray(vals, uncertainties) - single_time_val = (len(concentration_array) == 1) - post_irrad_index = self.get_irrad_index(single_time_val) conc = concentration_array[post_irrad_index] if conc < 1e-24: @@ -233,24 +250,33 @@ def sample_parameter(val: ufloat, dist: str) -> float: Pn = 1e-12 counts = Pn * decay_const * conc * \ - np.exp(-decay_const * self.decay_times) + np.exp(-decay_const * use_times) count_rate += counts else: if single_time_val: counts = Pn * decay_const * concentration_array[post_irrad_index] * \ - unumpy.exp(-decay_const * self.decay_times) + unumpy.exp(-decay_const * use_times) else: - counts = Pn * decay_const * concentration_array[post_irrad_index+1:] + if post_irrad_only: + index_offset = post_irrad_index + 1 + else: + index_offset = 0 + if no_post_irrad: + counts = Pn * decay_const * concentration_array[:post_irrad_index] + else: + counts = Pn * decay_const * concentration_array[index_offset:] + try: count_rate += unumpy.nominal_values(counts) except ValueError: self.logger.error('Counts shape does not match count rate') - self.logger.error(f'{np.shape(self.decay_times) = }') + self.logger.error(f'{np.shape(use_times) = }') self.logger.error(f'{np.shape(counts) = }') self.logger.error(f'{np.shape(count_rate) = }') self.logger.error(f'{np.shape(concentration_array) = }') self.logger.error(f'{np.shape(concentration_array[post_irrad_index:]) = }') self.logger.error(f'{np.shape(concentration_array[post_irrad_index+1:]) = }') + self.logger.error(f'{use_times = }') self.logger.error(f'{MC_run = }') self.logger.error(f'{sampler_func = }') self.logger.error(f'{single_time_val = }') @@ -267,7 +293,7 @@ def sample_parameter(val: ufloat, dist: str) -> float: conc_post_data[nuc] = conc data = { - 'times': self.decay_times, + 'times': use_times, 'counts': count_rate, 'sigma counts': sigma_count_rate } diff --git a/mosden/utils/input_handler.py b/mosden/utils/input_handler.py index bd0b622d..a32f2dcf 100644 --- a/mosden/utils/input_handler.py +++ b/mosden/utils/input_handler.py @@ -131,6 +131,8 @@ def _check_if_in_options(item, options): raise ValueError('Initial half life guess does not match number of groups') if len(data['modeling_options']['residual_handling']) == 0: raise ValueError('Residual must be evaluated') + if data['modeling_options']['residual_handling'] != ['post-irrad'] and data['modeling_options']['concentration_handling'] != 'OMC': + raise ValueError('Alternative residuals only applicable for OpenMC evaluation approach') return From 9e65020f3a52816f20eb0276f806e223545c7cf7 Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Mon, 23 Feb 2026 13:39:03 -0600 Subject: [PATCH 005/259] Check that intermediate is selected to allow non-post-irrad --- mosden/utils/input_handler.py | 2 ++ 1 file changed, 2 insertions(+) diff --git a/mosden/utils/input_handler.py b/mosden/utils/input_handler.py index a32f2dcf..d3ba900e 100644 --- a/mosden/utils/input_handler.py +++ b/mosden/utils/input_handler.py @@ -133,6 +133,8 @@ def _check_if_in_options(item, options): raise ValueError('Residual must be evaluated') if data['modeling_options']['residual_handling'] != ['post-irrad'] and data['modeling_options']['concentration_handling'] != 'OMC': raise ValueError('Alternative residuals only applicable for OpenMC evaluation approach') + if data['modeling_options']['residual_handling'] != ['post-irrad'] and data['modeling_options']['irrad_type'] != 'intermediate': + raise ValueError('Intermediate irradiation is the only type that enables non-post-irrad residual handling') return From 32185d793a254375aa82e7b28c0e149b50ba78c5 Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Tue, 24 Feb 2026 11:56:47 -0600 Subject: [PATCH 006/259] Finish adding custom residual handling --- mosden/base.py | 2 + mosden/countrate.py | 14 ++-- mosden/groupfit.py | 149 +++++++++++++++++++++++++++++++++++- tests/unit/test_groupfit.py | 29 ++++++- 4 files changed, 182 insertions(+), 12 deletions(-) diff --git a/mosden/base.py b/mosden/base.py index e8006f68..8b7cd9f3 100644 --- a/mosden/base.py +++ b/mosden/base.py @@ -146,6 +146,8 @@ def __init__(self, input_path: str) -> None: self.nuc_colors = post_options.get('nuc_colors', {}) self.num_stack = post_options.get('num_stacked_nuclides', 2) + self.post_irrad_only: bool = (len(self.residual_masks) == 1 and 'post-irrad' in self.residual_masks) + self.no_post_irrad: bool = ('post-irrad' not in self.residual_masks and 'all' not in self.residual_masks) self.decay_times = self._set_decay_times() np.random.seed(self.seed) diff --git a/mosden/countrate.py b/mosden/countrate.py index e55cc0c8..688e75da 100644 --- a/mosden/countrate.py +++ b/mosden/countrate.py @@ -176,9 +176,7 @@ def sample_parameter(val: ufloat, dist: str) -> float: 'Error: no data exists for given data combination') data: dict[str: list[float]] = dict() - post_irrad_only = len(self.residual_masks) == 1 and 'post-irrad' in self.residual_masks - no_post_irrad = 'post-irrad' not in self.residual_masks - if post_irrad_only: + if self.post_irrad_only: use_times = self.decay_times else: mask_data = self._get_times_and_rates() @@ -190,8 +188,8 @@ def sample_parameter(val: ufloat, dist: str) -> float: single_time_val = True post_irrad_index = self.get_irrad_index(single_time_val) - if no_post_irrad: - use_times = use_times[:post_irrad_index] + if self.no_post_irrad: + use_times = use_times[:post_irrad_index+1] count_rate: np.ndarray = np.zeros(len(use_times)) sigma_count_rate: np.ndarray = np.zeros(len(use_times)) @@ -257,12 +255,12 @@ def sample_parameter(val: ufloat, dist: str) -> float: counts = Pn * decay_const * concentration_array[post_irrad_index] * \ unumpy.exp(-decay_const * use_times) else: - if post_irrad_only: + if self.post_irrad_only: index_offset = post_irrad_index + 1 else: index_offset = 0 - if no_post_irrad: - counts = Pn * decay_const * concentration_array[:post_irrad_index] + if self.no_post_irrad: + counts = Pn * decay_const * concentration_array[:post_irrad_index+1] else: counts = Pn * decay_const * concentration_array[index_offset:] diff --git a/mosden/groupfit.py b/mosden/groupfit.py index 9db3e94b..23ccdaed 100644 --- a/mosden/groupfit.py +++ b/mosden/groupfit.py @@ -54,6 +54,8 @@ def _residual_function( times: np.ndarray[float], counts: np.ndarray[float], count_err: np.ndarray[float], + insitu_counts: np.ndarray[float], + insitu_times: np.ndarray[float], fit_func: Callable) -> float: """ Calculate the residual of the current set of parameters @@ -68,6 +70,10 @@ def _residual_function( List of delayed neutron counts count_err : np.ndarray[float] List of count errors + insitu_counts : np.ndarray[float] + List of delayed neutron counts during irradiation + times : np.ndarray[float] + List of times during irradiation fit_func : Callable Function that takes times and parameters to return list of counts @@ -76,9 +82,103 @@ def _residual_function( residual : float Value of the residual """ - residual = (counts - fit_func(times, parameters)) / (counts) + insitu_residual = ((insitu_counts - self._get_insitu_counts(insitu_times, parameters)) / (insitu_counts)) + insitu_residual = np.nan_to_num(insitu_residual) + post_residual = (counts - fit_func(times, parameters)) / (counts) + residual = np.concatenate((insitu_residual, post_residual)) return residual + def _get_insitu_fission_component(self, times: np.ndarray[float], + lam: np.ndarray[float], exp: Callable, + expm1: Callable) -> np.ndarray[float]: + """ + Get the fission component as a function of time during irradiation + + Parameters + ---------- + times : np.ndarray[float] + Irradiation times + lam : np.ndarray[float] + Decay constants for each group + exp : Callable + Exponential function (e.g. `np.exp`) + expm1 : Callable + Exponential subtraction function (e.g. `np.expm1`) + + Returns + ------- + fission_component : np.ndarray[float] + The fission term for each group as a function of time + """ + t = np.asarray(times) + t1 = times[:-1] + t2 = times[1:] + dt = t2 - t1 + + lam = lam[:, None, None] + t_eval = t[None, :, None] + t2 = t2[None, None, :] + dt = dt[None, None, :] + F = np.asarray(self.full_fission_term[1:])[None, None, :] + + a = -lam * (t_eval - t2) + b = -lam * dt + + exponential_term = np.nan_to_num(exp(a) * -expm1(b)) + + mask = t_eval >= t2 + exponential_term *= mask + + scaled = F * exponential_term + fission_component = np.sum(scaled, axis=2) + return fission_component + + + def _get_insitu_counts(self, + times: np.ndarray[float | object], + parameters: np.ndarray[float | object] + ) -> np.ndarray[float | object]: + """ + Fit function during irradiation + + Parameters + ---------- + times : np.ndarray[float|object] + Times at which to evaluate the fit function + parameters : np.ndarray[float|object] + Fit parameters for the model + + Returns + ------- + counts : np.ndarray[float|object] + Array of counts for each time point (can be float or ufloat) + """ + + parameters = self._restructure_intermediate_yields(parameters) + yields = parameters[:self.num_groups] + half_lives = parameters[self.num_groups:] + try: + np.exp(-np.log(2)/half_lives[0]) + exp = np.exp + expm1 = np.expm1 + lam = np.log(2) / np.asarray(half_lives) + nu = np.asarray(yields) + except TypeError: + counts: np.ndarray[object] = np.zeros( + len(times), dtype=object) + lams = np.log(2) / half_lives + exp = unumpy.exp + expm1 = unumpy.expm1 + lam = unumpy.uarray([lam.n for lam in lams], + [lam.s for lam in lams]) + nu = unumpy.uarray([v.n for v in yields], + [v.s for v in yields]) + + fission_component = self._get_insitu_fission_component(times, lam, exp, expm1) + group_counts = nu[:, None] * fission_component + counts = np.sum(group_counts, axis=0) + return counts + def _pulse_fit_function(self, times: np.ndarray[float | object], parameters: np.ndarray[float | object] @@ -319,6 +419,45 @@ def _restructure_intermediate_yields(self, parameters: np.ndarray[float|object], actual_yields = fission_per_group * np.asarray(scaled_yields) actual_parameters = np.concatenate((actual_yields, half_lives)) return actual_parameters + + def _get_modified_counts_and_times(self, times: np.ndarray[float], + counts: np.ndarray[float]) -> tuple[np.ndarray[float], np.ndarray[float], np.ndarray[float], np.ndarray[float]]: + """ + Gets the counts and times during and post irradiation + + Parameters + ---------- + times : np.ndarray[float] + Times post-irradiation + counts : np.ndarray[float] + Counts post-irradiation + + Returns + ------- + times : np.ndarray[float] + Post-irradiation times + counts : np.ndarray[float] + Post-irradiation counts + insitu_times : np.ndarray[float] + Mid-irradiation times + insitu_counts : np.ndarray[float] + Mid-irradiation counts + """ + post_irrad_index = self.get_irrad_index(False) + full_data = self._get_times_and_rates() + insitu_mask = np.asarray(full_data['insitu_mask']) + insitu_times = np.cumsum(full_data['timesteps'][:post_irrad_index]) * insitu_mask + insitu_counts = np.asarray(counts[1:post_irrad_index+1]) * insitu_mask + if self.no_post_irrad: + counts = np.asarray([]) + times = np.asarray([]) + elif self.post_irrad_only: + assert np.all(insitu_times == 0.0) + assert np.all(insitu_counts == 0) + else: + counts = counts[post_irrad_index+1:] + times = np.asarray(times[post_irrad_index+1:]) - times[post_irrad_index] + return times, counts, insitu_times, insitu_counts def _nonlinear_least_squares(self, @@ -403,6 +542,8 @@ def _nonlinear_least_squares(self, x0 = np.concatenate((np.ones(self.num_groups) * y_noise, np.ones(self.num_groups) * hl_noise)) starts.append(x0) + times, counts, insitu_times, insitu_counts = self._get_modified_counts_and_times() + best = None for x0 in tqdm(starts): result = least_squares(self._residual_function, @@ -415,7 +556,7 @@ def _nonlinear_least_squares(self, xtol=1e-12, verbose=0, max_nfev=1e6, - args=(times, counts, count_err, fit_function)) + args=(times, counts, count_err, insitu_counts, insitu_times, fit_function)) if best is None or result.cost < best.cost: best = result result = best @@ -445,6 +586,8 @@ def _nonlinear_least_squares(self, post_data_save.append(post_data) count_sample = data['counts'] count_sample_err = data['sigma counts'] + times, counts, insitu_times, insitu_counts = self._get_modified_counts_and_times() + result = least_squares( self._residual_function, result.x, @@ -459,6 +602,8 @@ def _nonlinear_least_squares(self, times, count_sample, count_sample_err, + insitu_counts, + insitu_times, fit_function)) tracked_counts.append([i for i in count_sample]) sorted_params = self._sort_params_by_half_life(result.x) diff --git a/tests/unit/test_groupfit.py b/tests/unit/test_groupfit.py index 30fdcdfd..839a559b 100644 --- a/tests/unit/test_groupfit.py +++ b/tests/unit/test_groupfit.py @@ -297,6 +297,9 @@ def test_effective_fiss(): eff_fiss = grouper._get_effective_fission(lams, np.exp, np.expm1) stat_fiss = grouper._get_saturation_fission_term(lams[0], np.exp) assert np.isclose(eff_fiss, stat_fiss), "Fission terms not equal" + grouper.full_fission_term = np.concatenate(([0], grouper.full_fission_term)) + insitu_fiss = grouper._get_insitu_fission_component(grouper.fission_times, lams, np.exp, np.expm1) + assert np.isclose(insitu_fiss[0][-1], eff_fiss), "Insitu fiss mismatch" grouper.full_fission_term = np.asarray([1, 1, 1]) hl = 250e3 @@ -305,25 +308,41 @@ def test_effective_fiss(): eff_fiss = grouper._get_effective_fission(lams, np.exp, np.expm1) stat_fiss = grouper._get_saturation_fission_term(lams[0], np.exp) assert np.isclose(eff_fiss, stat_fiss), "Fission terms not equal" + grouper.full_fission_term = np.concatenate(([0], grouper.full_fission_term)) + insitu_fiss = grouper._get_insitu_fission_component(grouper.fission_times, lams, np.exp, np.expm1) + assert np.isclose(insitu_fiss[0][-1], eff_fiss), "Insitu fiss mismatch" + grouper.full_fission_term = np.asarray([1, 1, 1]) hl = 1e10 lams = np.asarray([np.log(2)/hl]) eff_fiss = grouper._get_effective_fission(lams, np.exp, np.expm1) / lams[0] stat_fiss = grouper._get_saturation_fission_term(lams[0], np.exp) / lams[0] assert np.isclose(eff_fiss, grouper.t_net), "Limit for long-lived incorrect" assert np.isclose(stat_fiss, grouper.t_net), "Limit for long-lived incorrect" + grouper.full_fission_term = np.concatenate(([0], grouper.full_fission_term)) + insitu_fiss = grouper._get_insitu_fission_component(grouper.fission_times, lams, np.exp, np.expm1) / lams[0] + grouper.logger.error(f'{insitu_fiss = }') + assert np.isclose(insitu_fiss[0][-1], eff_fiss), "Limit for long-lived incorrect" + grouper.full_fission_term = np.asarray([1, 1, 1]) hl = 1e-10 lams = np.asarray([np.log(2)/hl]) eff_fiss = grouper._get_effective_fission(lams, np.exp, np.expm1) / lams[0] stat_fiss = grouper._get_saturation_fission_term(lams[0], np.exp) / lams[0] assert np.isclose(eff_fiss, 0), "Limit for long-lived incorrect" assert np.isclose(stat_fiss, 0), "Limit for long-lived incorrect" + grouper.full_fission_term = np.concatenate(([0], grouper.full_fission_term)) + insitu_fiss = grouper._get_insitu_fission_component(grouper.fission_times, lams, np.exp, np.expm1) / lams[0] + assert np.isclose(insitu_fiss[0][-1], eff_fiss), "Limit for long-lived incorrect" + grouper.full_fission_term = np.asarray([1, 1, 1]) hl = [1e-10, 1e10] lams = np.asarray(np.log(2)/hl) eff_fiss = grouper._get_effective_fission(lams, np.exp, np.expm1) / lams assert np.allclose(eff_fiss, [0.0, grouper.t_net]), "Limit for multiple incorrect" + grouper.full_fission_term = np.concatenate(([0], grouper.full_fission_term)) + insitu_fiss = grouper._get_insitu_fission_component(grouper.fission_times, lams, np.exp, np.expm1) / lams[:, None] + assert np.allclose(insitu_fiss[:, -1], eff_fiss), "Limit for multiple incorrect" @@ -354,9 +373,12 @@ def test_effective_fiss_many_ts(): eff_fiss = grouper._get_effective_fission(lams, np.exp, np.expm1) stat_fiss = grouper._get_saturation_fission_term(lam, np.exp) - + grouper.full_fission_term = np.concatenate(([0], grouper.full_fission_term)) + insitu_fiss = grouper._get_insitu_fission_component(grouper.fission_times, lams, np.exp, np.expm1) + assert np.isclose(eff_fiss, 0.9424, rtol=1e-2), "Effective fission mismatch" assert np.isclose(stat_fiss, 0.666, rtol=1e-2), "Static effective fission mismatch" + assert np.isclose(insitu_fiss[0][-1], eff_fiss, rtol=1e-2), "Final insitu doesn't match effective" full_fission[(t_mid >= 1) & (t_mid < 2)] = 1.0 @@ -365,5 +387,8 @@ def test_effective_fiss_many_ts(): eff_fiss = grouper._get_effective_fission(lams, np.exp, np.expm1) stat_fiss = grouper._get_saturation_fission_term(lam, np.exp) + grouper.full_fission_term = np.concatenate(([0], grouper.full_fission_term)) + insitu_fiss = grouper._get_insitu_fission_component(grouper.fission_times, lams, np.exp, np.expm1) - assert np.isclose(eff_fiss, stat_fiss, atol=1e-2) \ No newline at end of file + assert np.isclose(eff_fiss, stat_fiss, atol=1e-2) + assert np.isclose(eff_fiss, insitu_fiss[0][-1], atol=1e-2) \ No newline at end of file From 11860b6133c44fbe9093881357cd6ae764a47a4e Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Tue, 24 Feb 2026 13:11:36 -0600 Subject: [PATCH 007/259] Add missing func args --- mosden/groupfit.py | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/mosden/groupfit.py b/mosden/groupfit.py index 23ccdaed..99a7f587 100644 --- a/mosden/groupfit.py +++ b/mosden/groupfit.py @@ -542,7 +542,7 @@ def _nonlinear_least_squares(self, x0 = np.concatenate((np.ones(self.num_groups) * y_noise, np.ones(self.num_groups) * hl_noise)) starts.append(x0) - times, counts, insitu_times, insitu_counts = self._get_modified_counts_and_times() + times, counts, insitu_times, insitu_counts = self._get_modified_counts_and_times(times, counts) best = None for x0 in tqdm(starts): @@ -586,7 +586,7 @@ def _nonlinear_least_squares(self, post_data_save.append(post_data) count_sample = data['counts'] count_sample_err = data['sigma counts'] - times, counts, insitu_times, insitu_counts = self._get_modified_counts_and_times() + times, counts, insitu_times, insitu_counts = self._get_modified_counts_and_times(times, count_sample) result = least_squares( self._residual_function, From 4a4203eab3e936b6788afc278d901bb92efd360d Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Tue, 24 Feb 2026 13:33:37 -0600 Subject: [PATCH 008/259] Fix bug for data indexing --- mosden/countrate.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/mosden/countrate.py b/mosden/countrate.py index 688e75da..c26461b0 100644 --- a/mosden/countrate.py +++ b/mosden/countrate.py @@ -182,7 +182,7 @@ def sample_parameter(val: ufloat, dist: str) -> float: mask_data = self._get_times_and_rates() use_times = np.concatenate(([0], np.cumsum(mask_data['timesteps']))) - num_data = len(list(self.concentration_data[net_similar_nucs[-1]].values())[0]) + num_data = len(list(self.concentration_data[net_similar_nucs[-1]].keys())) single_time_val = False if num_data == 1: single_time_val = True From 4978c2e0253e7860cc1986098866d35dbd577732 Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Tue, 24 Feb 2026 13:54:06 -0600 Subject: [PATCH 009/259] Add min timestep handling --- mosden/base.py | 70 +++++++++++++++++++++--------- mosden/templates/input_schema.json | 4 ++ mosden/utils/defaults.py | 3 +- tests/unit/test_base.py | 45 +++++++++++++++++++ 4 files changed, 101 insertions(+), 21 deletions(-) diff --git a/mosden/base.py b/mosden/base.py index 8b7cd9f3..616b5cea 100644 --- a/mosden/base.py +++ b/mosden/base.py @@ -168,6 +168,31 @@ def time_track(self, starttime: float, modulename: str = '') -> None: self.logger.info(f'{modulename} took {round(time() - starttime, 3)}s') return None + def _set_cycle_times(self, residence_time: float) -> list[float]: + """ + Returns the list of times applied in OpenMC for each residence time + + Parameters + ---------- + residence_time : float + In-core or ex-core residence time + + Returns + ------- + values : list[float] + List of times to pass to OpenMC per residence + """ + min_value = np.min((self.openmc_settings['min_timestep'], residence_time)) + if min_value == 0.0: + return [] + min_cycles = int(np.floor(residence_time/min_value)) + remainder = residence_time - min_cycles * min_value + values = [min_value] * min_cycles + [remainder] + if np.isclose(values[-1], 0.0): + values = values[:-1] + return values + + def _get_times_and_rates(self, f_in: float = 1.0) -> dict[str, list[float|int]]: """ Calculates the time steps to evaluate in OpenMC, the source rates @@ -194,39 +219,41 @@ def _get_times_and_rates(self, f_in: float = 1.0) -> dict[str, list[float|int]]: current_time = 0 index_counter = 0 in_core = True + + incore_values = self._set_cycle_times(self.t_in) + excore_values = self._set_cycle_times(self.t_ex) + time_close = np.isclose(current_time, self.t_net) while current_time < self.t_net and not time_close: mask_val = 0 if in_core: - t = self.t_in + ts = incore_values region = 'incore' source = self.openmc_settings['source'] in_core = False if 'incore' in self.residual_masks: mask_val = 1 else: - t = self.t_ex + ts = excore_values region = 'excore' source = 0 in_core = True if 'excore' in self.residual_masks: mask_val = 1 - if t <= 0.0: - continue - - current_time += t - timesteps.append(t) - if (region in self.reprocess_locations) or self.chem_scaling: - removal_indeces.append(index_counter) - if self.flux_scaling: - source = self.openmc_settings['source'] * f_in - source_rates.append(source) - index_counter += 1 - time_close = np.isclose(current_time, self.t_net) - if 'all' in self.residual_masks: - mask_val = 1 - insitu_residual_mask.append(mask_val) + for t in ts: + current_time += t + timesteps.append(t) + if (region in self.reprocess_locations) or self.chem_scaling: + removal_indeces.append(index_counter) + if self.flux_scaling: + source = self.openmc_settings['source'] * f_in + source_rates.append(source) + index_counter += 1 + time_close = np.isclose(current_time, self.t_net) + if 'all' in self.residual_masks: + mask_val = 1 + insitu_residual_mask.append(mask_val) diff = sum(timesteps) - self.t_net timesteps[-1] = timesteps[-1] - diff @@ -302,13 +329,16 @@ def get_irrad_index(self, single_time_val: bool) -> int: """ if single_time_val: return 0 + + in_use_time = np.min((self.openmc_settings['min_timestep'], self.t_in)) + ex_use_time = np.min((self.openmc_settings['min_timestep'], self.t_ex)) if self.t_in == 0: - return int(np.ceil(self.t_net / self.t_ex)) + return int(np.ceil(self.t_net / ex_use_time)) if self.t_ex == 0: - return int(np.ceil(self.t_net / self.t_in)) + return int(np.ceil(self.t_net / in_use_time)) - cycle_time = self.t_in + self.t_ex + cycle_time = in_use_time + ex_use_time n_full = np.floor(self.t_net / cycle_time) post_irrad_index = int(2 * n_full) diff --git a/mosden/templates/input_schema.json b/mosden/templates/input_schema.json index 070a7602..808759d3 100644 --- a/mosden/templates/input_schema.json +++ b/mosden/templates/input_schema.json @@ -261,6 +261,10 @@ "write_nuyield_json": { "type": "boolean", "description": "Whether or not to write the delayed neutron yield output to a JSON file" + }, + "min_timestep": { + "type": "number", + "description": "The minimum time step size to use in OpenMC" } } } diff --git a/mosden/utils/defaults.py b/mosden/utils/defaults.py index c0dcccde..b7a7e152 100644 --- a/mosden/utils/defaults.py +++ b/mosden/utils/defaults.py @@ -69,7 +69,8 @@ "omc_dir": f'{current_dir}/omc', "run_omc": True, "write_fission_json": True, - "write_nuyield_json": True + "write_nuyield_json": True, + "min_timestep": 10 } }, "group_options": { diff --git a/tests/unit/test_base.py b/tests/unit/test_base.py index 85ac164a..53aa7fce 100644 --- a/tests/unit/test_base.py +++ b/tests/unit/test_base.py @@ -29,6 +29,28 @@ def test_get_irrad_index(): index = base.get_irrad_index(False) assert index == 3 +def test_get_irrad_index_with_min_time(): + input_path = './tests/unit/input/input.json' + base = BaseClass(input_path) + base.t_net = 5 + base.t_in = 2 + base.t_ex = 1 + index = base.get_irrad_index(False) + assert index == 3 + + base.openmc_settings['min_timestep'] = 1 + index = base.get_irrad_index(False) + assert index == 5 + + base.t_net = 30 + base.t_in = 1 + base.t_ex = 0 + base.openmc_settings['min_timestep'] = 0.25 + index = base.get_irrad_index(False) + assert index == 120 + + + def test_update_t_net(): input_path = './tests/unit/input/input.json' base = BaseClass(input_path) @@ -137,3 +159,26 @@ def test_times_rates_mask(): assert data['source_rates'][:10] == [1.0, 0]*5 assert data['removal_indeces'][:10] == list(np.arange(0, 10)) assert data['insitu_mask'] == [1]*10 + + +def test_openmc_time_setting(): + input_path = './tests/unit/input/input.json' + base = BaseClass(input_path) + base.openmc_settings['min_timestep'] = 1 + base.t_in = 1 + base.t_ex = 1 + base.t_net = 5 + in_vals = base._set_cycle_times(base.t_in) + assert np.allclose(in_vals, [1]) + + base.openmc_settings['min_timestep'] = 0.5 + in_vals = base._set_cycle_times(base.t_in) + assert np.allclose(in_vals, [0.5, 0.5]) + + base.openmc_settings['min_timestep'] = 0.3 + in_vals = base._set_cycle_times(base.t_in) + assert np.allclose(in_vals, [0.3, 0.3, 0.3, 0.1]) + + base.openmc_settings['min_timestep'] = 1/3 + in_vals = base._set_cycle_times(base.t_in) + assert np.allclose(in_vals, [1/3, 1/3, 1/3]) From 92f4cda901ebab73dcf96a0de8a5ef7b897786de Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Tue, 24 Feb 2026 13:54:21 -0600 Subject: [PATCH 010/259] Clean up get modified counts func --- mosden/groupfit.py | 8 +++++--- 1 file changed, 5 insertions(+), 3 deletions(-) diff --git a/mosden/groupfit.py b/mosden/groupfit.py index 99a7f587..c8d6e1c6 100644 --- a/mosden/groupfit.py +++ b/mosden/groupfit.py @@ -445,18 +445,20 @@ def _get_modified_counts_and_times(self, times: np.ndarray[float], """ post_irrad_index = self.get_irrad_index(False) full_data = self._get_times_and_rates() + if self.post_irrad_only: + return times, counts, np.array([]), np.array([]) + insitu_mask = np.asarray(full_data['insitu_mask']) insitu_times = np.cumsum(full_data['timesteps'][:post_irrad_index]) * insitu_mask insitu_counts = np.asarray(counts[1:post_irrad_index+1]) * insitu_mask + if self.no_post_irrad: counts = np.asarray([]) times = np.asarray([]) - elif self.post_irrad_only: - assert np.all(insitu_times == 0.0) - assert np.all(insitu_counts == 0) else: counts = counts[post_irrad_index+1:] times = np.asarray(times[post_irrad_index+1:]) - times[post_irrad_index] + return times, counts, insitu_times, insitu_counts From 673cb556123d4f524aa9f2ef4a62621be46f4b46 Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Wed, 25 Feb 2026 10:58:20 -0600 Subject: [PATCH 011/259] Fix groupfit unit test --- tests/unit/test_groupfit.py | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/tests/unit/test_groupfit.py b/tests/unit/test_groupfit.py index 839a559b..6345ffdf 100644 --- a/tests/unit/test_groupfit.py +++ b/tests/unit/test_groupfit.py @@ -139,8 +139,8 @@ def run_grouper_fit_test(irrad_type: str, grouper: Grouper, test_half_lives = [data[key]['half_life'] for key in range(grouper.num_groups)] parameters = test_yields + test_half_lives adjusted_parameters = grouper._restructure_intermediate_yields(parameters) - residual_known = np.linalg.norm(grouper._residual_function(adjusted_parameters, times, counts, None, fit_func)) - residual_previous = np.linalg.norm(grouper._residual_function(adjusted_parameters, times, func_counts, None, fit_func)) + residual_known = np.linalg.norm(grouper._residual_function(adjusted_parameters, times, counts, None, [], [], fit_func)) + residual_previous = np.linalg.norm(grouper._residual_function(adjusted_parameters, times, func_counts, None, [], [], fit_func)) grouper.logger.error(f'{base_parameters = }') grouper.logger.error(f'{base_inter_parameters = }') grouper.logger.error(f'{parameters = }') From 65ad903074216750ff9c9e84836c779018a4fdf6 Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Wed, 25 Feb 2026 11:00:34 -0600 Subject: [PATCH 012/259] Increase default min timestep and account for empty list for insitu times --- mosden/groupfit.py | 6 ++++-- mosden/utils/defaults.py | 2 +- 2 files changed, 5 insertions(+), 3 deletions(-) diff --git a/mosden/groupfit.py b/mosden/groupfit.py index c8d6e1c6..f3df5740 100644 --- a/mosden/groupfit.py +++ b/mosden/groupfit.py @@ -82,8 +82,10 @@ def _residual_function( residual : float Value of the residual """ - insitu_residual = ((insitu_counts - self._get_insitu_counts(insitu_times, parameters)) / (insitu_counts)) - insitu_residual = np.nan_to_num(insitu_residual) + insitu_residual = [] + if len(insitu_times) != 0: + insitu_residual = ((insitu_counts - self._get_insitu_counts(insitu_times, parameters)) / (insitu_counts)) + insitu_residual = np.nan_to_num(insitu_residual) post_residual = (counts - fit_func(times, parameters)) / (counts) residual = np.concatenate((insitu_residual, post_residual)) return residual diff --git a/mosden/utils/defaults.py b/mosden/utils/defaults.py index b7a7e152..9c631c19 100644 --- a/mosden/utils/defaults.py +++ b/mosden/utils/defaults.py @@ -70,7 +70,7 @@ "run_omc": True, "write_fission_json": True, "write_nuyield_json": True, - "min_timestep": 10 + "min_timestep": 1e10 } }, "group_options": { From e256526ecf644940f5ce38620e5f2dacd1b76f60 Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Wed, 25 Feb 2026 11:45:17 -0600 Subject: [PATCH 013/259] Add missing function params to test omc --- tests/integration/test_omc.py | 10 +++++----- 1 file changed, 5 insertions(+), 5 deletions(-) diff --git a/tests/integration/test_omc.py b/tests/integration/test_omc.py index 3f3a665a..940e3596 100644 --- a/tests/integration/test_omc.py +++ b/tests/integration/test_omc.py @@ -108,10 +108,10 @@ def test_in_ex_no_diff(): assert np.allclose(base_counts['counts'], intermediate_counts, rtol=1e-2), "Intermediate counts do not match" groups.irrad_type = 'saturation' - base_residual_intermediate = np.linalg.norm(groups._residual_function(adjusted_params, groups.decay_times, base_counts['counts'], None, fit_func)) + base_residual_intermediate = np.linalg.norm(groups._residual_function(adjusted_params, groups.decay_times, base_counts['counts'], None, [], [], fit_func)) fit_func = groups._saturation_fit_function assert np.allclose(base_counts['counts'], fit_func(groups.decay_times, base_params), rtol=1e-2), "Saturation counts do not match" - base_residual_saturation = np.linalg.norm(groups._residual_function(base_params, groups.decay_times, base_counts['counts'], None, fit_func)) + base_residual_saturation = np.linalg.norm(groups._residual_function(base_params, groups.decay_times, base_counts['counts'], None, [], [], fit_func)) assert base_residual_saturation > base_residual_intermediate, "Residual from intermediate fit should be better than saturation for stationary problem" yield_assertions(nuc_data, concs, groups, conc_data) @@ -161,13 +161,13 @@ def test_in_ex_no_diff(): intermediate_counts = fit_func(groups.decay_times, adjusted_flow_params) assert np.isclose(np.sum(adjusted_flow_params[:6]), intermediate_counts[0], rtol=1e-1), "Intermediate counts do not align with own parameters" assert np.allclose(flow_counts['counts'], intermediate_counts, rtol=1e-1), "Intermediate counts do not match" - flow_residual_intermediate = np.linalg.norm(groups._residual_function(adjusted_flow_params, groups.decay_times, flow_counts['counts'], None, fit_func)) - stat_params_on_flow_residual_intermediate = np.linalg.norm(groups._residual_function(adjusted_params, groups.decay_times, flow_counts['counts'], None, fit_func)) + flow_residual_intermediate = np.linalg.norm(groups._residual_function(adjusted_flow_params, groups.decay_times, flow_counts['counts'], None, [], [], fit_func)) + stat_params_on_flow_residual_intermediate = np.linalg.norm(groups._residual_function(adjusted_params, groups.decay_times, flow_counts['counts'], None, [], [], fit_func)) fit_func = groups._saturation_fit_function groups.irrad_type = 'saturation' assert np.allclose(flow_counts['counts'], fit_func(groups.decay_times, flow_params), rtol=1e-2), "Saturation counts do not match" - flow_residual_saturation = np.linalg.norm(groups._residual_function(flow_params, groups.decay_times, flow_counts['counts'], None, fit_func)) + flow_residual_saturation = np.linalg.norm(groups._residual_function(flow_params, groups.decay_times, flow_counts['counts'], None, [], [], fit_func)) assert flow_residual_saturation > flow_residual_intermediate, "Residual from intermediate fit should be better than saturation fit for (1,1) irradiation" assert flow_residual_intermediate < stat_params_on_flow_residual_intermediate, "Stationary params provide a superior fit than (1,1) params" From 2702aae994978dd755ee918fa707ce2663f1a48e Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Wed, 25 Feb 2026 15:23:05 -0600 Subject: [PATCH 014/259] Add extra check so tests pass --- tests/unit/test_base.py | 11 +++++++++++ 1 file changed, 11 insertions(+) diff --git a/tests/unit/test_base.py b/tests/unit/test_base.py index 53aa7fce..70fb943d 100644 --- a/tests/unit/test_base.py +++ b/tests/unit/test_base.py @@ -67,6 +67,11 @@ def test_irrad_and_update(): base.t_net = 10 base.t_in = 5 base.t_ex = 5 + base.openmc_settings['min_timestep'] = 1e10 + assert base.t_in == 5 + assert base.t_ex == 5 + assert base.t_net == 10 + assert base.openmc_settings['min_timestep'] > 5 index = base.get_irrad_index(False) assert index == 2 @@ -118,9 +123,15 @@ def test_times_rates_mask(): base.t_in = 1 base.t_ex = 1 base.t_net = 10 + base.openmc_settings['min_timestep'] = 1e10 base.flux_scaling = False assert not base.flux_scaling data = base._get_times_and_rates() + assert base.t_in == 1 + assert base.t_ex == 1 + assert base.t_net == 10 + assert base.openmc_settings['min_timestep'] > 1 + assert base._set_cycle_times(1) == [1] assert data['timesteps'][:10] == [1]*10 assert data['source_rates'][:10] == [1.0, 0]*5 From 0796497904bc25b74847adfd2482b7924771e9f8 Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Thu, 26 Feb 2026 11:28:40 -0600 Subject: [PATCH 015/259] Fix schema and update appendixD analysis --- examples/prelim_results/appendixD/indepth_analysis.py | 10 ++++++++++ mosden/templates/input_schema.json | 6 +++--- 2 files changed, 13 insertions(+), 3 deletions(-) create mode 100644 examples/prelim_results/appendixD/indepth_analysis.py diff --git a/examples/prelim_results/appendixD/indepth_analysis.py b/examples/prelim_results/appendixD/indepth_analysis.py new file mode 100644 index 00000000..07769cce --- /dev/null +++ b/examples/prelim_results/appendixD/indepth_analysis.py @@ -0,0 +1,10 @@ + + + + +if __name__ == '__main__': + irrad_selection = 0 + data_selection = 0 + irrad_types = ['pulse', 'saturation', 'res-combined', 'long-short'] + data_types = ['post-irrad', 'all', 'incore'] + diff --git a/mosden/templates/input_schema.json b/mosden/templates/input_schema.json index 808759d3..a412c396 100644 --- a/mosden/templates/input_schema.json +++ b/mosden/templates/input_schema.json @@ -84,7 +84,7 @@ "description": "Path to the half-life unprocessed data", "oneOf": [ { - "enum": ["iaea/eval.csv", "endfb71/decay/", "iaea/eval_test.csv"] + "enum": ["iaea/eval.csv", "endfb71/decay/", "iaea/eval_test.csv", "iaea/four_dnp_test.csv"] }, { "pattern": "^([A-Za-z0-9]+/)?omcchain/.+\\.xml" @@ -98,12 +98,12 @@ "emission_probability": { "type": "string", "description": "Path to the emission probability data", - "enum": ["iaea/eval.csv", "endfb71/decay/", "iaea/eval_test.csv"] + "enum": ["iaea/eval.csv", "endfb71/decay/", "iaea/eval_test.csv", "iaea/four_dnp_test.csv"] }, "fission_yield": { "type": "string", "description": "Path to the fission yield data", - "pattern": "^(?:.*/)?(endfb71/nfy/|jeff311/nfpy/|omcchain/chain_test.xml)$" + "pattern": "^(?:.*/)?(endfb71/nfy/|jeff311/nfpy/|omcchain/chain_test.xml|omcchain/four_dnp_test.xml)$" }, "decay_time_spacing": { "type": "string", From 798dbe9687ff60e667010f0c5dea81278e9bfd49 Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Thu, 26 Feb 2026 11:52:26 -0600 Subject: [PATCH 016/259] Create OMC analysis for appendixD --- .../appendixD/input_analysis.json | 51 ++++++++++++++++++ .../omc_analysis/indepth_analysis.py | 51 ++++++++++++++++++ .../omc_analysis/input_analysis.json | 52 +++++++++++++++++++ 3 files changed, 154 insertions(+) create mode 100644 examples/prelim_results/appendixD/input_analysis.json create mode 100644 examples/prelim_results/appendixD/omc_analysis/indepth_analysis.py create mode 100644 examples/prelim_results/appendixD/omc_analysis/input_analysis.json diff --git a/examples/prelim_results/appendixD/input_analysis.json b/examples/prelim_results/appendixD/input_analysis.json new file mode 100644 index 00000000..967e80c2 --- /dev/null +++ b/examples/prelim_results/appendixD/input_analysis.json @@ -0,0 +1,51 @@ +{ + "name": "saturation_four_dnp", + "file_options": { + "overwrite": { + "preprocessing": true, + "concentrations": true, + "count_rate": true, + "group_fitting": true, + "postprocessing": true + }, + "unprocessed_data_dir": "../../../tests/integration/test-data", + "processed_data_dir": "./", + "output_dir": "./", + "log_level": 15 + }, + "data_options": { + "half_life": "iaea/four_dnp_test.csv", + "cross_section": "", + "emission_probability": "iaea/four_dnp_test.csv", + "fission_yield": "omcchain/four_dnp_test.xml", + "decay_time_spacing": "log", + "temperature_K": 920, + "density_g_cm3": 2.3275, + "energy_MeV": 0.0253e-6, + "fissile_fractions": { + "U235": 1.0 + } + }, + "modeling_options": { + "parent_feeding": false, + "concentration_handling": "IFY", + "count_rate_handling": "data", + "reprocessing_locations": ["excore"], + "reprocessing": { + "Xe": 0.0 + }, + "irrad_type": "saturation", + "incore_s": 10, + "excore_s": 0, + "net_irrad_s": 1e6, + "decay_time": 1200, + "num_decay_times": 300 + }, + "group_options": { + "num_groups": 1, + "method": "nlls", + "samples": 1, + "sample_func": "normal", + "seed": 1 + } +} \ No newline at end of file diff --git a/examples/prelim_results/appendixD/omc_analysis/indepth_analysis.py b/examples/prelim_results/appendixD/omc_analysis/indepth_analysis.py new file mode 100644 index 00000000..8aa079ed --- /dev/null +++ b/examples/prelim_results/appendixD/omc_analysis/indepth_analysis.py @@ -0,0 +1,51 @@ +from mosden.utils.input_handler import InputHandler +from mosden.base import BaseClass +import json + + +#def analysis_solver() + +def modify_write_input(input_file, irrad, data_val): + base_input = InputHandler(input_file).read_input() + + if irrad == 'pulse': + base_input['modeling_options']['incore_s'] = 0.025 + base_input['modeling_options']['net_irrad_s'] = 0.025 + elif irrad == 'saturation': + base_input['modeling_options']['incore_s'] = 1e5 + base_input['modeling_options']['incore_s'] = 1e6 + elif irrad == 'res-combined': + # Instead of separating pulse and saturation, put the data together + # and solve all at once. + # For this, run BOTH pulse and saturation, record the data, then have + # a function here to manually solve for the best fit + raise NotImplementedError + elif irrad == 'long-short': + # Run BOTH pulse and saturation, then take the longest-lived from + # saturation and shortest-lived from pulse. (Keepin approach) + raise NotImplementedError + + base_input['modeling_options']['residual_handling'] = data_val + with open(f'./input_{irrad}_{data_val}.json', 'w') as f: + json.dump(base_input, f, indent=4) + return + + + +if __name__ == '__main__': + input_file = './input_analysis.json' + irrad_selection = 0 + data_selection = 0 + irrad_types = ['pulse', 'saturation', 'res-combined', 'long-short'] + data_types = ['post-irrad', 'all', 'incore'] + + original_input = InputHandler(input_file).read_input() + + base = BaseClass(input_file) + irrad = irrad_types[irrad_selection] + data_val = data_types[data_selection] + + modify_write_input(input_file, irrad, data_val) + + + diff --git a/examples/prelim_results/appendixD/omc_analysis/input_analysis.json b/examples/prelim_results/appendixD/omc_analysis/input_analysis.json new file mode 100644 index 00000000..54841b68 --- /dev/null +++ b/examples/prelim_results/appendixD/omc_analysis/input_analysis.json @@ -0,0 +1,52 @@ +{ + "name": "analysis_four_dnp", + "file_options": { + "overwrite": { + "preprocessing": true, + "concentrations": true, + "count_rate": true, + "group_fitting": true, + "postprocessing": true, + "logger": true + }, + "unprocessed_data_dir": "../../../tests/integration/test-data", + "processed_data_dir": "./", + "output_dir": "./", + "log_level": 15 + }, + "data_options": { + "half_life": "iaea/four_dnp_test.csv", + "cross_section": "", + "emission_probability": "iaea/four_dnp_test.csv", + "fission_yield": "omcchain/four_dnp_test.xml", + "decay_time_spacing": "log", + "temperature_K": 920, + "density_g_cm3": 2.3275, + "energy_MeV": 0.0253e-6, + "fissile_fractions": { + "U235": 1.0 + } + }, + "modeling_options": { + "concentration_handling": "OMC", + "count_rate_handling": "data", + "residual_handling": ["post-irrad"], + "reprocessing_locations": ["excore"], + "reprocessing": { + "Xe": 0.0 + }, + "irrad_type": "intermediate", + "incore_s": 10, + "excore_s": 0, + "net_irrad_s": 1e6, + "decay_time": 1200, + "num_decay_times": 100 + }, + "group_options": { + "num_groups": 4, + "method": "nlls", + "samples": 1, + "sample_func": "normal", + "seed": 1 + } +} \ No newline at end of file From daf02da1a50a77fb9dee4727deb68315985c9d08 Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Thu, 26 Feb 2026 13:10:51 -0600 Subject: [PATCH 017/259] Add indepth analysis --- .../appendixD/indepth_analysis.py | 131 +++++++++++++++++- .../appendixD/input_analysis.json | 51 ------- .../omc_analysis/indepth_analysis.py | 51 ------- .../omc_analysis/input_analysis.json | 52 ------- 4 files changed, 126 insertions(+), 159 deletions(-) delete mode 100644 examples/prelim_results/appendixD/input_analysis.json delete mode 100644 examples/prelim_results/appendixD/omc_analysis/indepth_analysis.py delete mode 100644 examples/prelim_results/appendixD/omc_analysis/input_analysis.json diff --git a/examples/prelim_results/appendixD/indepth_analysis.py b/examples/prelim_results/appendixD/indepth_analysis.py index 07769cce..4eefbc67 100644 --- a/examples/prelim_results/appendixD/indepth_analysis.py +++ b/examples/prelim_results/appendixD/indepth_analysis.py @@ -1,10 +1,131 @@ +import numpy as np +from scipy.optimize import least_squares +def residual_func(parameters, tot_times, counts, post_residual, insitu_residual, split_index): + calculated_counts = fit_func(tot_times, parameters, split_index) + residual_val = (counts - calculated_counts) / counts + if post_residual and insitu_residual: + residual = residual_val + elif post_residual: + residual = residual_val[split_index:] + elif insitu_residual: + residual = residual_val[:split_index] + else: + raise ValueError + return residual +def fit_func(tot_times, parameters, split_index): + num_groups = int(len(parameters) / 2) + yields = np.asarray(parameters[:num_groups]) + half_lives = parameters[num_groups:] + lam = np.log(2) / half_lives + # Insitu component + times = tot_times[:split_index] + t = np.asarray(times) + t1 = times[:-1] + t2 = times[1:] + dt = t2 - t1 + lam = lam[:, None, None] + t_eval = t[None, :, None] + t2 = t2[None, None, :] + dt = dt[None, None, :] -if __name__ == '__main__': - irrad_selection = 0 - data_selection = 0 - irrad_types = ['pulse', 'saturation', 'res-combined', 'long-short'] - data_types = ['post-irrad', 'all', 'incore'] + a = -lam * (t_eval - t2) + b = -lam * dt + exponential_term = np.nan_to_num(np.exp(a) * -np.expm1(b)) + + mask = t_eval >= t2 + exponential_term *= mask + + scaled = exponential_term + fission_component = np.sum(scaled, axis=2) + insitu_counts = np.sum(yields[:, None] * fission_component, axis=0) + + + + t1 = times[:-1] + t2 = times[1:] + dt = t2 - t1 + lam = np.log(2) / half_lives + a = -lam[:, None] * np.asarray(times[-1] - t2)[None, :] + b = -lam[:, None] * dt[None, :] + exponential_term = np.exp(a) * -np.expm1(b) + scaled_fission = exponential_term + fission_component = np.sum(scaled_fission, axis=1) + + + post_irrad_times = tot_times[split_index:] + count_exponential = np.exp(-lam[:, None] * post_irrad_times[None, :]) + post_counts = np.sum(yields[:, None] * count_exponential * fission_component[:, None], axis=0) + + counts = np.concatenate((insitu_counts, post_counts)) + return counts + + +yields = [0.25, 0.25, 0.25, 0.25] +decay_constants = [0.001, 0.01, 0.1, 1] + +# I want pulse, saturation, intermediate irradiation data +# I want the count rates collected at each point in time for that data +# Then, I want to be able to combine it in different ways +# pulse-post-irrad; pulse short-lived saturation long-lived; combined residual solve, etc. +post_residual = False +insitu_residual = True + + +fission_dt = 1 +fission_tf = 10 +decay_tf = 600 +num_decay_times = 10 +num_groups = 4 + + +min_half_life = 1e-3 +max_half_life = 1e3 +max_yield = 1.0 +lower_bounds = np.concatenate( + (np.zeros( + num_groups), np.ones( + num_groups) * min_half_life)) +upper_bounds = np.concatenate( + (np.ones( + num_groups) * + max_yield, + np.ones( + num_groups) * + max_half_life)) +bounds = (lower_bounds, upper_bounds) +initial_fit = (upper_bounds + lower_bounds) / 2 + + +fission_times = np.arange(0, fission_tf+fission_dt, fission_dt) +decay_times = np.geomspace(1e-2, decay_tf, num_decay_times) +tot_times = np.concatenate((fission_times, decay_times)) +split_index = len(fission_times) +concs = np.zeros((len(tot_times), 4)) +counts = np.zeros((len(tot_times), 4)) +for group, (y, lam) in enumerate(zip(yields, decay_constants)): + concs[:split_index, group] = y/lam * (1 - np.exp(-lam * fission_times)) + concs[split_index:, group] = ((y/lam) * (1 - np.exp(-lam * fission_times[-1]))) * np.exp(-lam * decay_times) + counts[:split_index, group] = lam * y/lam * (1 - np.exp(-lam * fission_times)) + counts[split_index:, group] = lam * ((y/lam) * (1 - np.exp(-lam * fission_times[-1]))) * np.exp(-lam * decay_times) +counts = np.sum(counts, axis=1) + +# Check fit functions +#temp_val = fit_func(tot_times, np.concatenate((yields, np.log(2)/decay_constants)), split_index) +#print(counts) +#print(temp_val) + +result = least_squares(residual_func, initial_fit, bounds=bounds, method='trf', + ftol=1e-12, gtol=1e-12, xtol=1e-12, + verbose=0, max_nfev=1e6, + args=(tot_times, counts, post_residual, insitu_residual, split_index)) +yields = result.x[:num_groups] +half_lives = result.x[num_groups:] +paired = zip(yields, half_lives) +sorted_pairs = sorted(paired, reverse=True) +yields, half_lives = zip(*sorted_pairs) +print(f'{yields = }') +print(f'{half_lives = }') \ No newline at end of file diff --git a/examples/prelim_results/appendixD/input_analysis.json b/examples/prelim_results/appendixD/input_analysis.json deleted file mode 100644 index 967e80c2..00000000 --- a/examples/prelim_results/appendixD/input_analysis.json +++ /dev/null @@ -1,51 +0,0 @@ -{ - "name": "saturation_four_dnp", - "file_options": { - "overwrite": { - "preprocessing": true, - "concentrations": true, - "count_rate": true, - "group_fitting": true, - "postprocessing": true - }, - "unprocessed_data_dir": "../../../tests/integration/test-data", - "processed_data_dir": "./", - "output_dir": "./", - "log_level": 15 - }, - "data_options": { - "half_life": "iaea/four_dnp_test.csv", - "cross_section": "", - "emission_probability": "iaea/four_dnp_test.csv", - "fission_yield": "omcchain/four_dnp_test.xml", - "decay_time_spacing": "log", - "temperature_K": 920, - "density_g_cm3": 2.3275, - "energy_MeV": 0.0253e-6, - "fissile_fractions": { - "U235": 1.0 - } - }, - "modeling_options": { - "parent_feeding": false, - "concentration_handling": "IFY", - "count_rate_handling": "data", - "reprocessing_locations": ["excore"], - "reprocessing": { - "Xe": 0.0 - }, - "irrad_type": "saturation", - "incore_s": 10, - "excore_s": 0, - "net_irrad_s": 1e6, - "decay_time": 1200, - "num_decay_times": 300 - }, - "group_options": { - "num_groups": 1, - "method": "nlls", - "samples": 1, - "sample_func": "normal", - "seed": 1 - } -} \ No newline at end of file diff --git a/examples/prelim_results/appendixD/omc_analysis/indepth_analysis.py b/examples/prelim_results/appendixD/omc_analysis/indepth_analysis.py deleted file mode 100644 index 8aa079ed..00000000 --- a/examples/prelim_results/appendixD/omc_analysis/indepth_analysis.py +++ /dev/null @@ -1,51 +0,0 @@ -from mosden.utils.input_handler import InputHandler -from mosden.base import BaseClass -import json - - -#def analysis_solver() - -def modify_write_input(input_file, irrad, data_val): - base_input = InputHandler(input_file).read_input() - - if irrad == 'pulse': - base_input['modeling_options']['incore_s'] = 0.025 - base_input['modeling_options']['net_irrad_s'] = 0.025 - elif irrad == 'saturation': - base_input['modeling_options']['incore_s'] = 1e5 - base_input['modeling_options']['incore_s'] = 1e6 - elif irrad == 'res-combined': - # Instead of separating pulse and saturation, put the data together - # and solve all at once. - # For this, run BOTH pulse and saturation, record the data, then have - # a function here to manually solve for the best fit - raise NotImplementedError - elif irrad == 'long-short': - # Run BOTH pulse and saturation, then take the longest-lived from - # saturation and shortest-lived from pulse. (Keepin approach) - raise NotImplementedError - - base_input['modeling_options']['residual_handling'] = data_val - with open(f'./input_{irrad}_{data_val}.json', 'w') as f: - json.dump(base_input, f, indent=4) - return - - - -if __name__ == '__main__': - input_file = './input_analysis.json' - irrad_selection = 0 - data_selection = 0 - irrad_types = ['pulse', 'saturation', 'res-combined', 'long-short'] - data_types = ['post-irrad', 'all', 'incore'] - - original_input = InputHandler(input_file).read_input() - - base = BaseClass(input_file) - irrad = irrad_types[irrad_selection] - data_val = data_types[data_selection] - - modify_write_input(input_file, irrad, data_val) - - - diff --git a/examples/prelim_results/appendixD/omc_analysis/input_analysis.json b/examples/prelim_results/appendixD/omc_analysis/input_analysis.json deleted file mode 100644 index 54841b68..00000000 --- a/examples/prelim_results/appendixD/omc_analysis/input_analysis.json +++ /dev/null @@ -1,52 +0,0 @@ -{ - "name": "analysis_four_dnp", - "file_options": { - "overwrite": { - "preprocessing": true, - "concentrations": true, - "count_rate": true, - "group_fitting": true, - "postprocessing": true, - "logger": true - }, - "unprocessed_data_dir": "../../../tests/integration/test-data", - "processed_data_dir": "./", - "output_dir": "./", - "log_level": 15 - }, - "data_options": { - "half_life": "iaea/four_dnp_test.csv", - "cross_section": "", - "emission_probability": "iaea/four_dnp_test.csv", - "fission_yield": "omcchain/four_dnp_test.xml", - "decay_time_spacing": "log", - "temperature_K": 920, - "density_g_cm3": 2.3275, - "energy_MeV": 0.0253e-6, - "fissile_fractions": { - "U235": 1.0 - } - }, - "modeling_options": { - "concentration_handling": "OMC", - "count_rate_handling": "data", - "residual_handling": ["post-irrad"], - "reprocessing_locations": ["excore"], - "reprocessing": { - "Xe": 0.0 - }, - "irrad_type": "intermediate", - "incore_s": 10, - "excore_s": 0, - "net_irrad_s": 1e6, - "decay_time": 1200, - "num_decay_times": 100 - }, - "group_options": { - "num_groups": 4, - "method": "nlls", - "samples": 1, - "sample_func": "normal", - "seed": 1 - } -} \ No newline at end of file From 96ad3f3ccbc84c39546f683fb47ef0b518d38d8a Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Thu, 26 Feb 2026 14:59:54 -0600 Subject: [PATCH 018/259] Add OMC option to appendixD --- examples/prelim_results/appendixD/README.md | 27 +++- .../appendixD/indepth_analysis.py | 131 ------------------ .../prelim_results/appendixD/input_omc.json | 51 +++++++ .../appendixD/omc_fissions_p.json | 14 ++ .../appendixD/omc_fissions_s.json | 14 ++ 5 files changed, 105 insertions(+), 132 deletions(-) delete mode 100644 examples/prelim_results/appendixD/indepth_analysis.py create mode 100644 examples/prelim_results/appendixD/input_omc.json create mode 100644 examples/prelim_results/appendixD/omc_fissions_p.json create mode 100644 examples/prelim_results/appendixD/omc_fissions_s.json diff --git a/examples/prelim_results/appendixD/README.md b/examples/prelim_results/appendixD/README.md index 18ca8b17..c847017a 100644 --- a/examples/prelim_results/appendixD/README.md +++ b/examples/prelim_results/appendixD/README.md @@ -1,3 +1,5 @@ +## Pulse and saturation input files + As of November 3, 2025, the independent fission yield is required to run the saturation simulation with custom nuclides (due to the NFY data requirement). To get around this, simply run the saturation model, adjust the concentrations @@ -5,4 +7,27 @@ to be 250 for A, 25 for B, 2.5 for C, and 0.25 for D. Rerun the count rate using `mosden -cnt input_sat.json`. Then, run `mosden -g input_sat.json` followed by `mosden --post input_sat.json` in order to use those values. -The pulse simulation can be fully run as-is with no modifications. \ No newline at end of file +The pulse simulation can be fully run as-is with no modifications. + +## OMC input file + +Run this only as `mosden -g input_omc.json`. +Make sure there is a file named `omc_fission.json` containing the fission history +of interest. +Configure the different irradiation types before starting (as described previously). +No change to the input file is necessary. + +### Pulse irradiation +For a pulse irradiation, the concentrations should be equal to the yield over +the number of fissions (sufficiently short irradiation such that there is no +decay). This means if there is one total fission, the concentration should +equal the yield. For a final irradiation time of 0.00001, the fission rate +should be 100000 over that time. +This is provided as `omc_fissions_p.json`, simply rename it to `omc_fission.json`. + + +### Saturation Irradiation +For a saturation irradiation, the concentrations should be equal to the yield over +the decay constant (assuming one fission per second). +For a final irradiation time of 100000, the fission rate should be 100000 over that time. +This is provided as `omc_fissions_s.json`, simply rename it to `omc_fission.json`. \ No newline at end of file diff --git a/examples/prelim_results/appendixD/indepth_analysis.py b/examples/prelim_results/appendixD/indepth_analysis.py deleted file mode 100644 index 4eefbc67..00000000 --- a/examples/prelim_results/appendixD/indepth_analysis.py +++ /dev/null @@ -1,131 +0,0 @@ -import numpy as np -from scipy.optimize import least_squares - -def residual_func(parameters, tot_times, counts, post_residual, insitu_residual, split_index): - calculated_counts = fit_func(tot_times, parameters, split_index) - residual_val = (counts - calculated_counts) / counts - if post_residual and insitu_residual: - residual = residual_val - elif post_residual: - residual = residual_val[split_index:] - elif insitu_residual: - residual = residual_val[:split_index] - else: - raise ValueError - return residual - -def fit_func(tot_times, parameters, split_index): - num_groups = int(len(parameters) / 2) - yields = np.asarray(parameters[:num_groups]) - half_lives = parameters[num_groups:] - lam = np.log(2) / half_lives - # Insitu component - times = tot_times[:split_index] - t = np.asarray(times) - t1 = times[:-1] - t2 = times[1:] - dt = t2 - t1 - - lam = lam[:, None, None] - t_eval = t[None, :, None] - t2 = t2[None, None, :] - dt = dt[None, None, :] - - a = -lam * (t_eval - t2) - b = -lam * dt - - exponential_term = np.nan_to_num(np.exp(a) * -np.expm1(b)) - - mask = t_eval >= t2 - exponential_term *= mask - - scaled = exponential_term - fission_component = np.sum(scaled, axis=2) - insitu_counts = np.sum(yields[:, None] * fission_component, axis=0) - - - - t1 = times[:-1] - t2 = times[1:] - dt = t2 - t1 - lam = np.log(2) / half_lives - a = -lam[:, None] * np.asarray(times[-1] - t2)[None, :] - b = -lam[:, None] * dt[None, :] - exponential_term = np.exp(a) * -np.expm1(b) - scaled_fission = exponential_term - fission_component = np.sum(scaled_fission, axis=1) - - - post_irrad_times = tot_times[split_index:] - count_exponential = np.exp(-lam[:, None] * post_irrad_times[None, :]) - post_counts = np.sum(yields[:, None] * count_exponential * fission_component[:, None], axis=0) - - counts = np.concatenate((insitu_counts, post_counts)) - return counts - - -yields = [0.25, 0.25, 0.25, 0.25] -decay_constants = [0.001, 0.01, 0.1, 1] - -# I want pulse, saturation, intermediate irradiation data -# I want the count rates collected at each point in time for that data -# Then, I want to be able to combine it in different ways -# pulse-post-irrad; pulse short-lived saturation long-lived; combined residual solve, etc. -post_residual = False -insitu_residual = True - - -fission_dt = 1 -fission_tf = 10 -decay_tf = 600 -num_decay_times = 10 -num_groups = 4 - - -min_half_life = 1e-3 -max_half_life = 1e3 -max_yield = 1.0 -lower_bounds = np.concatenate( - (np.zeros( - num_groups), np.ones( - num_groups) * min_half_life)) -upper_bounds = np.concatenate( - (np.ones( - num_groups) * - max_yield, - np.ones( - num_groups) * - max_half_life)) -bounds = (lower_bounds, upper_bounds) -initial_fit = (upper_bounds + lower_bounds) / 2 - - -fission_times = np.arange(0, fission_tf+fission_dt, fission_dt) -decay_times = np.geomspace(1e-2, decay_tf, num_decay_times) -tot_times = np.concatenate((fission_times, decay_times)) -split_index = len(fission_times) -concs = np.zeros((len(tot_times), 4)) -counts = np.zeros((len(tot_times), 4)) -for group, (y, lam) in enumerate(zip(yields, decay_constants)): - concs[:split_index, group] = y/lam * (1 - np.exp(-lam * fission_times)) - concs[split_index:, group] = ((y/lam) * (1 - np.exp(-lam * fission_times[-1]))) * np.exp(-lam * decay_times) - counts[:split_index, group] = lam * y/lam * (1 - np.exp(-lam * fission_times)) - counts[split_index:, group] = lam * ((y/lam) * (1 - np.exp(-lam * fission_times[-1]))) * np.exp(-lam * decay_times) -counts = np.sum(counts, axis=1) - -# Check fit functions -#temp_val = fit_func(tot_times, np.concatenate((yields, np.log(2)/decay_constants)), split_index) -#print(counts) -#print(temp_val) - -result = least_squares(residual_func, initial_fit, bounds=bounds, method='trf', - ftol=1e-12, gtol=1e-12, xtol=1e-12, - verbose=0, max_nfev=1e6, - args=(tot_times, counts, post_residual, insitu_residual, split_index)) -yields = result.x[:num_groups] -half_lives = result.x[num_groups:] -paired = zip(yields, half_lives) -sorted_pairs = sorted(paired, reverse=True) -yields, half_lives = zip(*sorted_pairs) -print(f'{yields = }') -print(f'{half_lives = }') \ No newline at end of file diff --git a/examples/prelim_results/appendixD/input_omc.json b/examples/prelim_results/appendixD/input_omc.json new file mode 100644 index 00000000..718f8970 --- /dev/null +++ b/examples/prelim_results/appendixD/input_omc.json @@ -0,0 +1,51 @@ +{ + "name": "omc_four_dnp", + "file_options": { + "overwrite": { + "preprocessing": true, + "concentrations": true, + "count_rate": true, + "group_fitting": true, + "postprocessing": true + }, + "unprocessed_data_dir": "../../../tests/integration/test-data", + "processed_data_dir": "./", + "output_dir": "./", + "log_level": 15 + }, + "data_options": { + "half_life": "iaea/four_dnp_test.csv", + "cross_section": "", + "emission_probability": "iaea/four_dnp_test.csv", + "fission_yield": "omcchain/four_dnp_test.xml", + "decay_time_spacing": "log", + "temperature_K": 920, + "density_g_cm3": 2.3275, + "energy_MeV": 0.0253e-6, + "fissile_fractions": { + "U235": 1.0 + } + }, + "modeling_options": { + "parent_feeding": false, + "concentration_handling": "OMC", + "count_rate_handling": "data", + "reprocessing_locations": ["excore"], + "reprocessing": { + "Xe": 0.0 + }, + "irrad_type": "intermediate", + "incore_s": 0.00001, + "excore_s": 0, + "net_irrad_s": 0.00004, + "decay_time": 1200, + "num_decay_times": 300 + }, + "group_options": { + "num_groups": 4, + "method": "nlls", + "samples": 1, + "sample_func": "normal", + "seed": 1 + } +} \ No newline at end of file diff --git a/examples/prelim_results/appendixD/omc_fissions_p.json b/examples/prelim_results/appendixD/omc_fissions_p.json new file mode 100644 index 00000000..26e947c5 --- /dev/null +++ b/examples/prelim_results/appendixD/omc_fissions_p.json @@ -0,0 +1,14 @@ +{ + "fissions": { + "U235": [ + 100000 + ], + "net": [ + 100000 + ] + }, + "times": [ + 0.0, + 0.00001 + ] +} \ No newline at end of file diff --git a/examples/prelim_results/appendixD/omc_fissions_s.json b/examples/prelim_results/appendixD/omc_fissions_s.json new file mode 100644 index 00000000..cafc992c --- /dev/null +++ b/examples/prelim_results/appendixD/omc_fissions_s.json @@ -0,0 +1,14 @@ +{ + "fissions": { + "U235": [ + 100000 + ], + "net": [ + 100000 + ] + }, + "times": [ + 0.0, + 100000 + ] +} \ No newline at end of file From aaa8e48466e4f18d00922acc9d67c92ed384ec44 Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Thu, 26 Feb 2026 15:00:28 -0600 Subject: [PATCH 019/259] Specify number groups in input file --- examples/prelim_results/appendixD/README.md | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/examples/prelim_results/appendixD/README.md b/examples/prelim_results/appendixD/README.md index c847017a..7b5470c2 100644 --- a/examples/prelim_results/appendixD/README.md +++ b/examples/prelim_results/appendixD/README.md @@ -15,7 +15,7 @@ Run this only as `mosden -g input_omc.json`. Make sure there is a file named `omc_fission.json` containing the fission history of interest. Configure the different irradiation types before starting (as described previously). -No change to the input file is necessary. +No change to the input file is necessary aside from the number of groups. ### Pulse irradiation For a pulse irradiation, the concentrations should be equal to the yield over From 11a56827c85ba124fde0118d50f43e01dfc7f0ae Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Fri, 27 Feb 2026 12:42:08 -0600 Subject: [PATCH 020/259] Add PRK example analysis --- .../appendixD_realDNPs/prk/README.md | 10 + .../appendixD_realDNPs/prk/input.json | 28 +++ .../appendixD_realDNPs/prk/main.py | 218 ++++++++++++++++++ 3 files changed, 256 insertions(+) create mode 100644 examples/phd_results/appendixD_realDNPs/prk/README.md create mode 100644 examples/phd_results/appendixD_realDNPs/prk/input.json create mode 100644 examples/phd_results/appendixD_realDNPs/prk/main.py diff --git a/examples/phd_results/appendixD_realDNPs/prk/README.md b/examples/phd_results/appendixD_realDNPs/prk/README.md new file mode 100644 index 00000000..34569460 --- /dev/null +++ b/examples/phd_results/appendixD_realDNPs/prk/README.md @@ -0,0 +1,10 @@ +## Running PRKs + +Adjust the `input.json` file. +The parameters from MoSDeN have to be scaled to the form acceptable by a PRK +solver. +An assumption is made that the importance term is one (which means the effective +delayed neutron fraction is equal to the delayed neutron fraction, so the +yields from MoSDeN just need to be scaled by the total neutron yield). +If the parameters provided are already scaled, then set the neutrons per fission +to 1. \ No newline at end of file diff --git a/examples/phd_results/appendixD_realDNPs/prk/input.json b/examples/phd_results/appendixD_realDNPs/prk/input.json new file mode 100644 index 00000000..032e7187 --- /dev/null +++ b/examples/phd_results/appendixD_realDNPs/prk/input.json @@ -0,0 +1,28 @@ +{ + "selections": ["keepin"], + "problem": "step", + "euler_mode": "backward", + "time_steps": [1e-3], + "tf": 2, + "keepin": { + "yields": [0.00052, 0.00346, 0.00310, 0.00624, 0.00182, 0.00066], + "hls": [55.89897, 22.72614, 6.24457, 2.30281, 0.60802, 0.23028], + "gen_time": 2e-5, + "neutrons_per_fission": 2.4, + "rho_max_dollars": 0.5, + "rho_amplitude": 750e-5, + "rho_frequency": 100, + "p0": 1 + }, + "pulse": { + "yields": [0.00052, 0.00346, 0.00310, 0.00624, 0.00182, 0.00066], + "hls": [55.89897, 22.72614, 6.24457, 2.30281, 0.60802, 0.23028], + "gen_time": 2e-5, + "neutrons_per_fission": 2.4, + "rho_max_dollars": 0.5, + "rho_amplitude": 750e-5, + "rho_frequency": 100, + "p0": 1 + } + } + \ No newline at end of file diff --git a/examples/phd_results/appendixD_realDNPs/prk/main.py b/examples/phd_results/appendixD_realDNPs/prk/main.py new file mode 100644 index 00000000..07d36a06 --- /dev/null +++ b/examples/phd_results/appendixD_realDNPs/prk/main.py @@ -0,0 +1,218 @@ +import json +import numpy as np +import pandas as pd +import copy +import matplotlib.pyplot as plt +plt.style.use('mosden.plotting') +from mosden.postprocessing import PostProcess + + +class PRKE: + def __init__(self, input_path: str, output_path: str): + self.post = PostProcess(input_path) + self.input_path = input_path + self.output_path = output_path + self.data = self._parse_input() + return + + def _parse_input(self): + with open(self.input_path, 'r') as file: + data = json.load(file) + return data + + + def _solve_handler(self, dt, rho, problem): + cur_data = self.data[problem] + total_yield = cur_data['neutrons_per_fission'] + betas = np.asarray(cur_data['yields']) / total_yield + beta_eff = np.sum(betas) + lams = np.log(2) / cur_data['hls'] + p0 = cur_data['p0'] + gen = cur_data['gen_time'] + + times = np.arange(0, self.data['tf']+dt, dt) + power_vals = list() + prec_vals = list() + num_groups = len(cur_data['yields']) + + + for ti, t in enumerate(times): + if ti == 0: + power_vals.append(p0) + prec_vals.append([betas[i]*p0/(lams[i]*gen) for i in range(num_groups)]) + continue + prev_power = power_vals[ti-1] + prev_conc = prec_vals[ti-1] + + prec_sum = 0 + for k in range(num_groups): + prec_sum += lams[k] * prev_conc[k] + + if self.data['euler_mode'] == 'forward': + new_power = (prev_power + dt * ((rho(t) - beta_eff) / gen * prev_power + prec_sum)) + new_precs = list() + for k in range(num_groups): + cur_conc = (prev_conc[k] + dt * (betas[k]/gen * prev_power - lams[k] * prev_conc[k])) + new_precs.append(cur_conc) + + elif self.data['euler_mode'] == 'backward': + new_power = (prev_power + dt * prec_sum) / (1 - dt*(rho(t+dt)-beta_eff)/gen) + new_precs = list() + for k in range(num_groups): + cur_conc = ((prev_conc[k] + betas[k]*dt/gen*prev_power) / (1 + dt*lams[k])) + new_precs.append(cur_conc) + + else: + raise Exception('Not implemented') + power_vals.append(new_power) + prec_vals.append(new_precs) + + return times, power_vals, prec_vals + + def _conc_plot(self, time, conc_data): + num_groups = len(conc_data[0]) + colors = self.post.get_colors(num_groups) + for k in range(num_groups): + conc_vals = [C[k] for C in conc_data] + plt.plot(time, conc_vals, label=f'Group {k+1}', color=colors[k]) + plt.xlabel('Time [s]') + plt.ylabel('Precursor Concentration') + plt.legend() + plt.tight_layout() + plt.savefig('conc.png') + plt.close() + return + + + def _power_reativity_plot(self, time, power, reactivity_data): + + fig, ax1 = plt.subplots() + + color = 'tab:red' + ax1.set_xlabel('Time [s]') + ax1.set_ylabel('Relative Power', color=color) + ax1.plot(time, power, color=color) + ax1.tick_params(axis='y', labelcolor=color) + + ax2 = ax1.twinx() + + color = 'tab:blue' + ax2.set_ylabel('Reactivity [pcm]', color=color) + ax2.plot(time, np.asarray(reactivity_data)*1e5, color=color) + ax2.tick_params(axis='y', labelcolor=color) + + fig.tight_layout() + fig.savefig('power_reactivity.png') + plt.close() + return + + def _get_reactivity(self, problem, reactivity_form: str): + if reactivity_form == 'step': + rho = lambda t: 50e-5 + return rho + elif reactivity_form == 'ramp': + total_yield = self.data['neutrons_per_fission'] + betaeff = np.sum(self.data[problem]['yields']) / total_yield + rho_max = self.data[problem]['rho_max_dollars'] * betaeff + rho = lambda t: min(rho_max*t, rho_max) + return rho + elif reactivity_form == 'sine': + rho_0 = self.data[problem]['rho_amplitude'] + omega = self.data[problem]['rho_frequency'] + rho = lambda t: rho_0 * np.sin(omega * t) + return rho + else: + raise Exception('Reactivity form provided not implemented') + + def _dt_plot(self, time_collections, power_collections, dt_list): + for index_val, times in enumerate(time_collections): + power = np.asarray(power_collections[index_val]) + dt = dt_list[index_val] + label_val = rf'$\Delta t = {dt*1000:.1f} ms$' + if index_val == 0: + base_y = power + base_x = times + t_common = np.intersect1d(base_x, times) + base_common = base_y[np.isin(base_x, t_common)] + cur_common = power[np.isin(times, t_common)] + pcnt_diff = ((np.asarray(base_common) - np.asarray(cur_common)) / + np.asarray(cur_common) * 100) + plt.plot(t_common, pcnt_diff, label=label_val) + plt.xlabel('Time [s]') + plt.ylabel('Difference [%]') + plt.legend() + plt.tight_layout() + plt.savefig('dtcompare.png') + plt.close() + return + + + def _write_output(self, write_path, times, powers, precs, rho, cur_data, dt, + dti): + data_dict = copy.deepcopy(cur_data) + data_dict['time_steps'] = dt + header_df = pd.DataFrame(data_dict) + + num_precs = len(precs[0]) + data = dict() + data['Times [s]'] = times + data['Relative Power'] = powers + for k in range(num_precs): + data[f'Precursor Group {k} Concentration'] = [C[k] for C in precs] + reactivity_data = list() + for t in times: + reactivity_data.append(rho(t)) + data['Reactivity'] = reactivity_data + + + df = pd.DataFrame(data) + with open(write_path, 'w', newline='') as f: + header_df.to_csv(f, index=False) + df.to_csv(f, index=False) + + if dti == 0: + self._power_reativity_plot(times, powers, reactivity_data) + self._conc_plot(times, precs) + return + + def compare_results(full_data): + print('here') + return + + def solve(self): + problems = self.data['selections'] + compare_data = dict() + for problem in problems: + compare_data[problem] = dict() + cur_data = self.data[problem] + reactivity_form = self.data['problem'] + rho = self._get_reactivity(problem, reactivity_form) + dt_list = self.data['time_steps'] + time_collections = list() + power_collections = list() + precursor_collections = list() + + for dti, dt in enumerate(dt_list): + times, powers, precs = self._solve_handler(dt, rho, problem) + self._write_output(f'{self.output_path}_{problem}.csv', + times, powers, precs, rho, cur_data, dt, dti) + time_collections.append(times) + power_collections.append(powers) + precursor_collections.append(precs) + compare_data['times'] = times + compare_data['power'] = powers + compare_data['concs'] = precs + + self._dt_plot(time_collections, power_collections, dt_list) + if len(problems) > 1: + self.compare_results(compare_data) + return + + + + +if __name__ == '__main__': + input_data = './input.json' + output_data = './output' + solver = PRKE(input_data, output_data) + solver.solve() \ No newline at end of file From 1a08f68f4767eadf36aae2315c68c6bc20501c2e Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Fri, 27 Feb 2026 12:55:06 -0600 Subject: [PATCH 021/259] Add pulse data and comparison of powers --- .../appendixD_realDNPs/prk/input.json | 7 ++++--- .../appendixD_realDNPs/prk/main.py | 21 ++++++++++++++----- 2 files changed, 20 insertions(+), 8 deletions(-) diff --git a/examples/phd_results/appendixD_realDNPs/prk/input.json b/examples/phd_results/appendixD_realDNPs/prk/input.json index 032e7187..07afba03 100644 --- a/examples/phd_results/appendixD_realDNPs/prk/input.json +++ b/examples/phd_results/appendixD_realDNPs/prk/input.json @@ -1,5 +1,5 @@ { - "selections": ["keepin"], + "selections": ["keepin", "pulse"], "problem": "step", "euler_mode": "backward", "time_steps": [1e-3], @@ -15,8 +15,9 @@ "p0": 1 }, "pulse": { - "yields": [0.00052, 0.00346, 0.00310, 0.00624, 0.00182, 0.00066], - "hls": [55.89897, 22.72614, 6.24457, 2.30281, 0.60802, 0.23028], + "description": "Calculated using ENDFB71 data, post-irrad, 0.00001 second irradiation, 100 decay times, 600 decay seconds", + "yields": [0.000601, 0.00325528, 0.00323466, 0.00678078, 0.0036572234, 0.001167046], + "hls": [55.047, 22.133, 5.6015, 1.9612, 0.4696, 0.095268], "gen_time": 2e-5, "neutrons_per_fission": 2.4, "rho_max_dollars": 0.5, diff --git a/examples/phd_results/appendixD_realDNPs/prk/main.py b/examples/phd_results/appendixD_realDNPs/prk/main.py index 07d36a06..dcb94b1d 100644 --- a/examples/phd_results/appendixD_realDNPs/prk/main.py +++ b/examples/phd_results/appendixD_realDNPs/prk/main.py @@ -175,8 +175,19 @@ def _write_output(self, write_path, times, powers, precs, rho, cur_data, dt, self._conc_plot(times, precs) return - def compare_results(full_data): - print('here') + def compare_results(self, full_data): + linestyles = [':', '-.', '--'] + for pi, (problem, data) in enumerate(full_data.items()): + label: str = problem.capitalize() + times = data['times'] + concs = data['concs'] + power = data['power'] + plt.plot(times, power, label=label, linestyle=linestyles[pi%len(linestyles)]) + print(f'{label} {power[-1] = }') + plt.legend() + plt.savefig(f'compare_powers.png') + plt.close() + return def solve(self): @@ -199,9 +210,9 @@ def solve(self): time_collections.append(times) power_collections.append(powers) precursor_collections.append(precs) - compare_data['times'] = times - compare_data['power'] = powers - compare_data['concs'] = precs + compare_data[problem]['times'] = times + compare_data[problem]['power'] = powers + compare_data[problem]['concs'] = precs self._dt_plot(time_collections, power_collections, dt_list) if len(problems) > 1: From 5d0a013a0b41ce8d455cb7316f7236e1cb63337b Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Fri, 27 Feb 2026 13:32:16 -0600 Subject: [PATCH 022/259] Add more PRK data --- .../appendixD_realDNPs/prk/input.json | 28 +++++++++++++++++-- .../appendixD_realDNPs/prk/main.py | 28 ++++++++++++++++--- 2 files changed, 49 insertions(+), 7 deletions(-) diff --git a/examples/phd_results/appendixD_realDNPs/prk/input.json b/examples/phd_results/appendixD_realDNPs/prk/input.json index 07afba03..3e5054b7 100644 --- a/examples/phd_results/appendixD_realDNPs/prk/input.json +++ b/examples/phd_results/appendixD_realDNPs/prk/input.json @@ -1,6 +1,6 @@ { - "selections": ["keepin", "pulse"], - "problem": "step", + "selections": ["pulse", "intermediate", "saturation"], + "problem": "step_relative", "euler_mode": "backward", "time_steps": [1e-3], "tf": 2, @@ -15,7 +15,7 @@ "p0": 1 }, "pulse": { - "description": "Calculated using ENDFB71 data, post-irrad, 0.00001 second irradiation, 100 decay times, 600 decay seconds", + "description": "Calculated using ENDFB71 data, post-irrad, (0.00001,0) 0.00001 second irradiation, 100 decay times, 600 decay seconds", "yields": [0.000601, 0.00325528, 0.00323466, 0.00678078, 0.0036572234, 0.001167046], "hls": [55.047, 22.133, 5.6015, 1.9612, 0.4696, 0.095268], "gen_time": 2e-5, @@ -24,6 +24,28 @@ "rho_amplitude": 750e-5, "rho_frequency": 100, "p0": 1 + }, + "intermediate": { + "description": "Calculated using ENDFB71 data, post-irrad, (1,0) 30 second irradiation, 100 decay times, 600 decay seconds", + "yields": [0.0005810767, 0.002995618, 0.00165845, 0.0065752589, 0.004701, 0.00214555], + "hls": [55.395699, 22.939397, 8.79516, 2.8361, 0.82819, 0.15777], + "gen_time": 2e-5, + "neutrons_per_fission": 2.4, + "rho_max_dollars": 0.5, + "rho_amplitude": 750e-5, + "rho_frequency": 100, + "p0": 1 + }, + "saturation": { + "description": "Calculated using ENDFB71 data, post-irrad, (60,0) 1200 second irradiation, 100 decay times, 600 decay seconds", + "yields": [0.000576267, 0.002988244, 0.0018862306, 0.0069244077, 0.0044298534, 0.001862336], + "hls": [55.4938, 23.030678, 8.43461, 2.63272, 0.7163197, 0.139332515], + "gen_time": 2e-5, + "neutrons_per_fission": 2.4, + "rho_max_dollars": 0.5, + "rho_amplitude": 750e-5, + "rho_frequency": 100, + "p0": 1 } } \ No newline at end of file diff --git a/examples/phd_results/appendixD_realDNPs/prk/main.py b/examples/phd_results/appendixD_realDNPs/prk/main.py index dcb94b1d..e418da92 100644 --- a/examples/phd_results/appendixD_realDNPs/prk/main.py +++ b/examples/phd_results/appendixD_realDNPs/prk/main.py @@ -34,6 +34,7 @@ def _solve_handler(self, dt, rho, problem): power_vals = list() prec_vals = list() num_groups = len(cur_data['yields']) + self.num_groups = num_groups for ti, t in enumerate(times): @@ -107,12 +108,15 @@ def _power_reativity_plot(self, time, power, reactivity_data): return def _get_reactivity(self, problem, reactivity_form: str): + total_yield = self.data[problem]['neutrons_per_fission'] + betaeff = np.sum(self.data[problem]['yields']) / total_yield if reactivity_form == 'step': rho = lambda t: 50e-5 return rho + elif reactivity_form == 'step_relative': + rho = lambda t: 0.05 * betaeff + return rho elif reactivity_form == 'ramp': - total_yield = self.data['neutrons_per_fission'] - betaeff = np.sum(self.data[problem]['yields']) / total_yield rho_max = self.data[problem]['rho_max_dollars'] * betaeff rho = lambda t: min(rho_max*t, rho_max) return rho @@ -180,13 +184,29 @@ def compare_results(self, full_data): for pi, (problem, data) in enumerate(full_data.items()): label: str = problem.capitalize() times = data['times'] - concs = data['concs'] power = data['power'] plt.plot(times, power, label=label, linestyle=linestyles[pi%len(linestyles)]) print(f'{label} {power[-1] = }') plt.legend() - plt.savefig(f'compare_powers.png') + plt.xlabel('Time [s]') + plt.ylabel('Relative Power') + plt.savefig(f'compare_power.png') plt.close() + + for group in range(self.num_groups): + for pi, (problem, data) in enumerate(full_data.items()): + label: str = problem.capitalize() + times = data['times'] + concs = data['concs'] + conc = np.asarray(concs)[:, group] + + plt.plot(times, conc, label=label, linestyle=linestyles[pi%len(linestyles)]) + print(f'{label} {conc[-1] = }') + plt.legend() + plt.xlabel('Time [s]') + plt.ylabel('Atoms [\#]') + plt.savefig(f'compare_conc_{group+1}.png') + plt.close() return From 40b11540d78e45fd141a0ced4e5053021220f32b Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Fri, 27 Feb 2026 14:08:35 -0600 Subject: [PATCH 023/259] Move PRK example directory --- .../{appendixD_realDNPs => }/prk/README.md | 0 .../{appendixD_realDNPs => }/prk/input.json | 42 ++++++------------- .../{appendixD_realDNPs => }/prk/main.py | 37 ++++++++++++---- 3 files changed, 42 insertions(+), 37 deletions(-) rename examples/phd_results/{appendixD_realDNPs => }/prk/README.md (100%) rename examples/phd_results/{appendixD_realDNPs => }/prk/input.json (61%) rename examples/phd_results/{appendixD_realDNPs => }/prk/main.py (87%) diff --git a/examples/phd_results/appendixD_realDNPs/prk/README.md b/examples/phd_results/prk/README.md similarity index 100% rename from examples/phd_results/appendixD_realDNPs/prk/README.md rename to examples/phd_results/prk/README.md diff --git a/examples/phd_results/appendixD_realDNPs/prk/input.json b/examples/phd_results/prk/input.json similarity index 61% rename from examples/phd_results/appendixD_realDNPs/prk/input.json rename to examples/phd_results/prk/input.json index 3e5054b7..ee2757a2 100644 --- a/examples/phd_results/appendixD_realDNPs/prk/input.json +++ b/examples/phd_results/prk/input.json @@ -3,49 +3,33 @@ "problem": "step_relative", "euler_mode": "backward", "time_steps": [1e-3], - "tf": 2, + "tf": 15, + "step_relative_insertion": 0.5, + "rho_max_dollars": 0.5, + "neutrons_per_fission": 2.4, + "gen_time": 2e-5, + "p0": 1, + "rho_amplitude": 750e-5, + "rho_frequency": 100, + "equilibrium_dnps": true, "keepin": { "yields": [0.00052, 0.00346, 0.00310, 0.00624, 0.00182, 0.00066], - "hls": [55.89897, 22.72614, 6.24457, 2.30281, 0.60802, 0.23028], - "gen_time": 2e-5, - "neutrons_per_fission": 2.4, - "rho_max_dollars": 0.5, - "rho_amplitude": 750e-5, - "rho_frequency": 100, - "p0": 1 + "hls": [55.89897, 22.72614, 6.24457, 2.30281, 0.60802, 0.23028] }, "pulse": { "description": "Calculated using ENDFB71 data, post-irrad, (0.00001,0) 0.00001 second irradiation, 100 decay times, 600 decay seconds", "yields": [0.000601, 0.00325528, 0.00323466, 0.00678078, 0.0036572234, 0.001167046], - "hls": [55.047, 22.133, 5.6015, 1.9612, 0.4696, 0.095268], - "gen_time": 2e-5, - "neutrons_per_fission": 2.4, - "rho_max_dollars": 0.5, - "rho_amplitude": 750e-5, - "rho_frequency": 100, - "p0": 1 + "hls": [55.047, 22.133, 5.6015, 1.9612, 0.4696, 0.095268] }, "intermediate": { "description": "Calculated using ENDFB71 data, post-irrad, (1,0) 30 second irradiation, 100 decay times, 600 decay seconds", "yields": [0.0005810767, 0.002995618, 0.00165845, 0.0065752589, 0.004701, 0.00214555], - "hls": [55.395699, 22.939397, 8.79516, 2.8361, 0.82819, 0.15777], - "gen_time": 2e-5, - "neutrons_per_fission": 2.4, - "rho_max_dollars": 0.5, - "rho_amplitude": 750e-5, - "rho_frequency": 100, - "p0": 1 + "hls": [55.395699, 22.939397, 8.79516, 2.8361, 0.82819, 0.15777] }, "saturation": { "description": "Calculated using ENDFB71 data, post-irrad, (60,0) 1200 second irradiation, 100 decay times, 600 decay seconds", "yields": [0.000576267, 0.002988244, 0.0018862306, 0.0069244077, 0.0044298534, 0.001862336], - "hls": [55.4938, 23.030678, 8.43461, 2.63272, 0.7163197, 0.139332515], - "gen_time": 2e-5, - "neutrons_per_fission": 2.4, - "rho_max_dollars": 0.5, - "rho_amplitude": 750e-5, - "rho_frequency": 100, - "p0": 1 + "hls": [55.4938, 23.030678, 8.43461, 2.63272, 0.7163197, 0.139332515] } } \ No newline at end of file diff --git a/examples/phd_results/appendixD_realDNPs/prk/main.py b/examples/phd_results/prk/main.py similarity index 87% rename from examples/phd_results/appendixD_realDNPs/prk/main.py rename to examples/phd_results/prk/main.py index e418da92..7e63d3d2 100644 --- a/examples/phd_results/appendixD_realDNPs/prk/main.py +++ b/examples/phd_results/prk/main.py @@ -23,12 +23,12 @@ def _parse_input(self): def _solve_handler(self, dt, rho, problem): cur_data = self.data[problem] - total_yield = cur_data['neutrons_per_fission'] + total_yield = self.data['neutrons_per_fission'] betas = np.asarray(cur_data['yields']) / total_yield beta_eff = np.sum(betas) lams = np.log(2) / cur_data['hls'] - p0 = cur_data['p0'] - gen = cur_data['gen_time'] + p0 = self.data['p0'] + gen = self.data['gen_time'] times = np.arange(0, self.data['tf']+dt, dt) power_vals = list() @@ -36,11 +36,15 @@ def _solve_handler(self, dt, rho, problem): num_groups = len(cur_data['yields']) self.num_groups = num_groups + if self.data['equilibrium_dnps']: + prec_initial_val = [betas[i]*p0/(lams[i]*gen) for i in range(num_groups)] + else: + prec_initial_val = [0] * num_groups for ti, t in enumerate(times): if ti == 0: power_vals.append(p0) - prec_vals.append([betas[i]*p0/(lams[i]*gen) for i in range(num_groups)]) + prec_vals.append(prec_initial_val) continue prev_power = power_vals[ti-1] prev_conc = prec_vals[ti-1] @@ -108,20 +112,20 @@ def _power_reativity_plot(self, time, power, reactivity_data): return def _get_reactivity(self, problem, reactivity_form: str): - total_yield = self.data[problem]['neutrons_per_fission'] + total_yield = self.data['neutrons_per_fission'] betaeff = np.sum(self.data[problem]['yields']) / total_yield if reactivity_form == 'step': rho = lambda t: 50e-5 return rho elif reactivity_form == 'step_relative': - rho = lambda t: 0.05 * betaeff + rho = lambda t: self.data['step_relative_insertion'] * betaeff return rho elif reactivity_form == 'ramp': - rho_max = self.data[problem]['rho_max_dollars'] * betaeff + rho_max = self.data['rho_max_dollars'] * betaeff rho = lambda t: min(rho_max*t, rho_max) return rho elif reactivity_form == 'sine': - rho_0 = self.data[problem]['rho_amplitude'] + rho_0 = self.data['rho_amplitude'] omega = self.data[problem]['rho_frequency'] rho = lambda t: rho_0 * np.sin(omega * t) return rho @@ -188,10 +192,27 @@ def compare_results(self, full_data): plt.plot(times, power, label=label, linestyle=linestyles[pi%len(linestyles)]) print(f'{label} {power[-1] = }') plt.legend() + #plt.xscale('log') plt.xlabel('Time [s]') plt.ylabel('Relative Power') plt.savefig(f'compare_power.png') plt.close() + + + for pi, (problem, data) in enumerate(full_data.items()): + label: str = problem.capitalize() + times = data['times'] + power = np.asarray(data['power']) + if pi == 0: + base_label = label + base_power = power + power_diff = (base_power - power) / ((base_power + power) / 2) * 100 + plt.plot(times, power_diff, label=f'{label}', linestyle=linestyles[pi%len(linestyles)]) + plt.legend() + plt.xlabel('Time [s]') + plt.ylabel(f'Power Difference from {base_label} [\%]') + plt.savefig(f'compare_power_percent.png') + plt.close() for group in range(self.num_groups): for pi, (problem, data) in enumerate(full_data.items()): From fbeb17282128ee871d2d594d1dd70b2260228f62 Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Fri, 27 Feb 2026 14:23:43 -0600 Subject: [PATCH 024/259] Add relative sinusoid --- examples/phd_results/prk/input.json | 7 ++++--- examples/phd_results/prk/main.py | 7 ++++++- 2 files changed, 10 insertions(+), 4 deletions(-) diff --git a/examples/phd_results/prk/input.json b/examples/phd_results/prk/input.json index ee2757a2..95b87720 100644 --- a/examples/phd_results/prk/input.json +++ b/examples/phd_results/prk/input.json @@ -1,16 +1,17 @@ { "selections": ["pulse", "intermediate", "saturation"], - "problem": "step_relative", + "problem": "sine_relative", "euler_mode": "backward", "time_steps": [1e-3], - "tf": 15, + "tf": 60, "step_relative_insertion": 0.5, "rho_max_dollars": 0.5, "neutrons_per_fission": 2.4, "gen_time": 2e-5, "p0": 1, "rho_amplitude": 750e-5, - "rho_frequency": 100, + "rho_relative_amplitude": 0.25, + "rho_frequency": 2, "equilibrium_dnps": true, "keepin": { "yields": [0.00052, 0.00346, 0.00310, 0.00624, 0.00182, 0.00066], diff --git a/examples/phd_results/prk/main.py b/examples/phd_results/prk/main.py index 7e63d3d2..c32f3f95 100644 --- a/examples/phd_results/prk/main.py +++ b/examples/phd_results/prk/main.py @@ -126,7 +126,12 @@ def _get_reactivity(self, problem, reactivity_form: str): return rho elif reactivity_form == 'sine': rho_0 = self.data['rho_amplitude'] - omega = self.data[problem]['rho_frequency'] + omega = self.data['rho_frequency'] + rho = lambda t: rho_0 * np.sin(omega * t) + return rho + elif reactivity_form == 'sine_relative': + rho_0 = self.data['rho_relative_amplitude'] * betaeff + omega = self.data['rho_frequency'] rho = lambda t: rho_0 * np.sin(omega * t) return rho else: From 56506c2efac294e405ed77335799e03630f60ff8 Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Mon, 2 Mar 2026 10:11:49 -0600 Subject: [PATCH 025/259] Add comparison of count rates example file --- .../count_comparison/compare_count_rates.py | 86 +++++++++++++++++++ 1 file changed, 86 insertions(+) create mode 100644 examples/phd_results/count_comparison/compare_count_rates.py diff --git a/examples/phd_results/count_comparison/compare_count_rates.py b/examples/phd_results/count_comparison/compare_count_rates.py new file mode 100644 index 00000000..8e3162de --- /dev/null +++ b/examples/phd_results/count_comparison/compare_count_rates.py @@ -0,0 +1,86 @@ +from mosden.utils.csv_handler import CSVHandler +import numpy as np + + +def counts_from_concs(conc_data: dict[str, dict[float, tuple[float, float]]], + pn_data, + hl_data) -> tuple[list[float], dict[str, list[float]]]: + counts = dict() + emission_nucs = list(pn_data.keys()) + half_life_nucs = list(hl_data.keys()) + conc_nucs = list(conc_data.keys()) + net_similar_nucs = list( + set(emission_nucs) & set(half_life_nucs) & set(conc_nucs)) + for nuc in net_similar_nucs: + data = conc_data[nuc] + Pn = pn_data[nuc]['emission probability'] + hl = hl_data[nuc]['half_life'] + decay_const = np.log(2) / hl + if np.allclose(list(data.values()), 0.0): + continue + counts[nuc] = list() + for _, (conc, _) in data.items(): + count = Pn * decay_const * conc + counts[nuc].append(count) + + times = list(conc_data[nuc].keys()) + + return times, counts + + +def trim_counts(counts, index): + counts_new = dict() + for nuc, data in counts.items(): + target_data = data[index] + counts_new[nuc] = target_data + return counts_new + +def calc_relative_diff(dict1, dict2): + diff_dict = dict() + for nuc in dict1.keys(): + rel_diff = (dict1[nuc] - dict2[nuc])/((dict1[nuc]+dict2[nuc])/2) + diff_dict[nuc] = rel_diff + return diff_dict + + + +if __name__ == "__main__": + pn_file = './emission_probability.csv' + hl_file = './half_life.csv' + long_irrad_file = './concentrations_(0.1,10).csv' + short_irrad_file = './concentrations_(0.01,1).csv' + final_irrad_index = 100 + top_num = 5 + + pn_data = CSVHandler(pn_file, create=False).read_csv() + hl_data = CSVHandler(hl_file, create=False).read_csv() + short_conc_data = CSVHandler(short_irrad_file).read_csv_with_time() + times, counts = counts_from_concs(short_conc_data, pn_data=pn_data, hl_data=hl_data) + counts_short = trim_counts(counts, final_irrad_index) + + long_conc_data = CSVHandler(long_irrad_file).read_csv_with_time() + times, counts = counts_from_concs(long_conc_data, pn_data=pn_data, hl_data=hl_data) + counts_long = trim_counts(counts, final_irrad_index) + + diff_dict = calc_relative_diff(counts_short, counts_long) + sorted_keys = list(sorted(diff_dict, key=diff_dict.get, reverse=True)) + + for each_index in range(top_num): + nuc = sorted_keys[each_index] + diff_val = np.round(diff_dict[nuc] * 100, 1) + hl = hl_data[nuc]['half_life'] + pn = pn_data[nuc]['emission probability'] + print(f'{nuc = }\n{diff_val = }%\n{hl = }\n{pn = }\n') + + + print() + sorted_keys = list(sorted(diff_dict, key=diff_dict.get, reverse=False)) + + for each_index in range(top_num): + nuc = sorted_keys[each_index] + diff_val = np.round(diff_dict[nuc] * 100, 1) + hl = hl_data[nuc]['half_life'] + pn = pn_data[nuc]['emission probability'] + print(f'{nuc = }\n{diff_val = }%\n{hl = }\n{pn = }\n') + + From 4f238fe9908a811a9fb6e4da2ce9a08f3953a02d Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Mon, 2 Mar 2026 10:14:32 -0600 Subject: [PATCH 026/259] Update high fidelity JSON example --- examples/high_fidelity/input.json | 13 ++++++++++--- 1 file changed, 10 insertions(+), 3 deletions(-) diff --git a/examples/high_fidelity/input.json b/examples/high_fidelity/input.json index 9a669fd0..05ad979d 100644 --- a/examples/high_fidelity/input.json +++ b/examples/high_fidelity/input.json @@ -28,11 +28,12 @@ "modeling_options": { "concentration_handling": "OMC", "count_rate_handling": "data", + "residual_handling": ["post-irrad"], "reprocessing_locations": ["excore"], "reprocessing": { "Xe": 0.0 }, - "irrad_type": "saturation", + "irrad_type": "intermediate", "spatial_scaling": { "flux": false, "reprocessing": false @@ -40,7 +41,7 @@ "base_removal_scaling": 0.5, "incore_s": 5, "excore_s": 2, - "net_irrad_s": 300, + "net_irrad_s": 30, "decay_time": 600, "num_decay_times": 100, "openmc_settings": { @@ -49,12 +50,18 @@ "source": 1e3, "run_omc": true, "write_fission_json": true, - "write_nuyield_json": true + "write_nuyield_json": true, + "min_timestep": 1e10 } }, "group_options": { "num_groups": 6, "method": "nlls", + "parameter_guesses": 10, + "initial_params": { + "yields": [0.0005811, 0.00299617, 0.00166, 0.0065785, 0.00469921, 0.0021417], + "half_lives": [55.39525, 22.937965, 8.78718, 2.83386, 0.82695, 0.1575506] + }, "samples": 1, "sample_func": "normal" } From 4a2e639414adf831c22998cbbcec1eaf50011c78 Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Mon, 2 Mar 2026 11:53:16 -0600 Subject: [PATCH 027/259] Rename to irrad --- mosden/base.py | 8 +++---- mosden/groupfit.py | 46 ++++++++++++++++++------------------- tests/unit/test_base.py | 10 ++++---- tests/unit/test_groupfit.py | 30 ++++++++++++------------ 4 files changed, 47 insertions(+), 47 deletions(-) diff --git a/mosden/base.py b/mosden/base.py index 616b5cea..f4eb627e 100644 --- a/mosden/base.py +++ b/mosden/base.py @@ -209,13 +209,13 @@ def _get_times_and_rates(self, f_in: float = 1.0) -> dict[str, list[float|int]]: time_rate_data : dict[str, list[float|int]] Keys are names for different datasets, values are the time-dependent data. Keys include `timesteps`, `source_rates`, `removal_indeces`, - and `insitu_mask` + and `irrad_mask` """ time_rate_data = dict() removal_indeces = list() timesteps = list() source_rates = list() - insitu_residual_mask = list() + irrad_residual_mask = list() current_time = 0 index_counter = 0 in_core = True @@ -253,7 +253,7 @@ def _get_times_and_rates(self, f_in: float = 1.0) -> dict[str, list[float|int]]: time_close = np.isclose(current_time, self.t_net) if 'all' in self.residual_masks: mask_val = 1 - insitu_residual_mask.append(mask_val) + irrad_residual_mask.append(mask_val) diff = sum(timesteps) - self.t_net timesteps[-1] = timesteps[-1] - diff @@ -266,7 +266,7 @@ def _get_times_and_rates(self, f_in: float = 1.0) -> dict[str, list[float|int]]: time_rate_data['timesteps'] = timesteps time_rate_data['source_rates'] = source_rates time_rate_data['removal_indeces'] = removal_indeces - time_rate_data['insitu_mask'] = insitu_residual_mask + time_rate_data['irrad_mask'] = irrad_residual_mask return time_rate_data diff --git a/mosden/groupfit.py b/mosden/groupfit.py index f3df5740..9c29af8f 100644 --- a/mosden/groupfit.py +++ b/mosden/groupfit.py @@ -54,8 +54,8 @@ def _residual_function( times: np.ndarray[float], counts: np.ndarray[float], count_err: np.ndarray[float], - insitu_counts: np.ndarray[float], - insitu_times: np.ndarray[float], + irrad_counts: np.ndarray[float], + irrad_times: np.ndarray[float], fit_func: Callable) -> float: """ Calculate the residual of the current set of parameters @@ -70,9 +70,9 @@ def _residual_function( List of delayed neutron counts count_err : np.ndarray[float] List of count errors - insitu_counts : np.ndarray[float] + irrad_counts : np.ndarray[float] List of delayed neutron counts during irradiation - times : np.ndarray[float] + irrad_times : np.ndarray[float] List of times during irradiation fit_func : Callable Function that takes times and parameters to return list of counts @@ -82,15 +82,15 @@ def _residual_function( residual : float Value of the residual """ - insitu_residual = [] - if len(insitu_times) != 0: - insitu_residual = ((insitu_counts - self._get_insitu_counts(insitu_times, parameters)) / (insitu_counts)) - insitu_residual = np.nan_to_num(insitu_residual) + irrad_residual = [] + if len(irrad_times) != 0: + irrad_residual = ((irrad_counts - self._get_irrad_counts(irrad_times, parameters)) / (irrad_counts)) + irrad_residual = np.nan_to_num(irrad_residual) post_residual = (counts - fit_func(times, parameters)) / (counts) - residual = np.concatenate((insitu_residual, post_residual)) + residual = np.concatenate((irrad_residual, post_residual)) return residual - def _get_insitu_fission_component(self, times: np.ndarray[float], + def _get_irrad_fission_component(self, times: np.ndarray[float], lam: np.ndarray[float], exp: Callable, expm1: Callable) -> np.ndarray[float]: """ @@ -136,7 +136,7 @@ def _get_insitu_fission_component(self, times: np.ndarray[float], return fission_component - def _get_insitu_counts(self, + def _get_irrad_counts(self, times: np.ndarray[float | object], parameters: np.ndarray[float | object] ) -> np.ndarray[float | object]: @@ -176,7 +176,7 @@ def _get_insitu_counts(self, nu = unumpy.uarray([v.n for v in yields], [v.s for v in yields]) - fission_component = self._get_insitu_fission_component(times, lam, exp, expm1) + fission_component = self._get_irrad_fission_component(times, lam, exp, expm1) group_counts = nu[:, None] * fission_component counts = np.sum(group_counts, axis=0) return counts @@ -440,9 +440,9 @@ def _get_modified_counts_and_times(self, times: np.ndarray[float], Post-irradiation times counts : np.ndarray[float] Post-irradiation counts - insitu_times : np.ndarray[float] + irrad_times : np.ndarray[float] Mid-irradiation times - insitu_counts : np.ndarray[float] + irrad_counts : np.ndarray[float] Mid-irradiation counts """ post_irrad_index = self.get_irrad_index(False) @@ -450,9 +450,9 @@ def _get_modified_counts_and_times(self, times: np.ndarray[float], if self.post_irrad_only: return times, counts, np.array([]), np.array([]) - insitu_mask = np.asarray(full_data['insitu_mask']) - insitu_times = np.cumsum(full_data['timesteps'][:post_irrad_index]) * insitu_mask - insitu_counts = np.asarray(counts[1:post_irrad_index+1]) * insitu_mask + irrad_mask = np.asarray(full_data['irrad_mask']) + irrad_times = np.cumsum(full_data['timesteps'][:post_irrad_index]) * irrad_mask + irrad_counts = np.asarray(counts[1:post_irrad_index+1]) * irrad_mask if self.no_post_irrad: counts = np.asarray([]) @@ -461,7 +461,7 @@ def _get_modified_counts_and_times(self, times: np.ndarray[float], counts = counts[post_irrad_index+1:] times = np.asarray(times[post_irrad_index+1:]) - times[post_irrad_index] - return times, counts, insitu_times, insitu_counts + return times, counts, irrad_times, irrad_counts def _nonlinear_least_squares(self, @@ -546,7 +546,7 @@ def _nonlinear_least_squares(self, x0 = np.concatenate((np.ones(self.num_groups) * y_noise, np.ones(self.num_groups) * hl_noise)) starts.append(x0) - times, counts, insitu_times, insitu_counts = self._get_modified_counts_and_times(times, counts) + times, counts, irrad_times, irrad_counts = self._get_modified_counts_and_times(times, counts) best = None for x0 in tqdm(starts): @@ -560,7 +560,7 @@ def _nonlinear_least_squares(self, xtol=1e-12, verbose=0, max_nfev=1e6, - args=(times, counts, count_err, insitu_counts, insitu_times, fit_function)) + args=(times, counts, count_err, irrad_counts, irrad_times, fit_function)) if best is None or result.cost < best.cost: best = result result = best @@ -590,7 +590,7 @@ def _nonlinear_least_squares(self, post_data_save.append(post_data) count_sample = data['counts'] count_sample_err = data['sigma counts'] - times, counts, insitu_times, insitu_counts = self._get_modified_counts_and_times(times, count_sample) + times, counts, irrad_times, irrad_counts = self._get_modified_counts_and_times(times, count_sample) result = least_squares( self._residual_function, @@ -606,8 +606,8 @@ def _nonlinear_least_squares(self, times, count_sample, count_sample_err, - insitu_counts, - insitu_times, + irrad_counts, + irrad_times, fit_function)) tracked_counts.append([i for i in count_sample]) sorted_params = self._sort_params_by_half_life(result.x) diff --git a/tests/unit/test_base.py b/tests/unit/test_base.py index 70fb943d..41bc4774 100644 --- a/tests/unit/test_base.py +++ b/tests/unit/test_base.py @@ -136,7 +136,7 @@ def test_times_rates_mask(): assert data['timesteps'][:10] == [1]*10 assert data['source_rates'][:10] == [1.0, 0]*5 assert data['removal_indeces'][:10] == list(np.arange(0, 10)) - assert data['insitu_mask'] == [0]*10 + assert data['irrad_mask'] == [0]*10 base.residual_masks = ['post-irrad'] data = base._get_times_and_rates() @@ -144,7 +144,7 @@ def test_times_rates_mask(): assert data['timesteps'][:10] == [1]*10 assert data['source_rates'][:10] == [1.0, 0]*5 assert data['removal_indeces'][:10] == list(np.arange(0, 10)) - assert data['insitu_mask'] == [0]*10 + assert data['irrad_mask'] == [0]*10 base.residual_masks = ['incore'] data = base._get_times_and_rates() @@ -152,7 +152,7 @@ def test_times_rates_mask(): assert data['timesteps'][:10] == [1]*10 assert data['source_rates'][:10] == [1.0, 0]*5 assert data['removal_indeces'][:10] == list(np.arange(0, 10)) - assert data['insitu_mask'] == [1,0]*5 + assert data['irrad_mask'] == [1,0]*5 base.residual_masks = ['excore'] data = base._get_times_and_rates() @@ -160,7 +160,7 @@ def test_times_rates_mask(): assert data['timesteps'][:10] == [1]*10 assert data['source_rates'][:10] == [1.0, 0]*5 assert data['removal_indeces'][:10] == list(np.arange(0, 10)) - assert data['insitu_mask'] == [0,1]*5 + assert data['irrad_mask'] == [0,1]*5 base.residual_masks = ['all'] @@ -169,7 +169,7 @@ def test_times_rates_mask(): assert data['timesteps'][:10] == [1]*10 assert data['source_rates'][:10] == [1.0, 0]*5 assert data['removal_indeces'][:10] == list(np.arange(0, 10)) - assert data['insitu_mask'] == [1]*10 + assert data['irrad_mask'] == [1]*10 def test_openmc_time_setting(): diff --git a/tests/unit/test_groupfit.py b/tests/unit/test_groupfit.py index 6345ffdf..80633a78 100644 --- a/tests/unit/test_groupfit.py +++ b/tests/unit/test_groupfit.py @@ -298,8 +298,8 @@ def test_effective_fiss(): stat_fiss = grouper._get_saturation_fission_term(lams[0], np.exp) assert np.isclose(eff_fiss, stat_fiss), "Fission terms not equal" grouper.full_fission_term = np.concatenate(([0], grouper.full_fission_term)) - insitu_fiss = grouper._get_insitu_fission_component(grouper.fission_times, lams, np.exp, np.expm1) - assert np.isclose(insitu_fiss[0][-1], eff_fiss), "Insitu fiss mismatch" + irrad_fiss = grouper._get_irrad_fission_component(grouper.fission_times, lams, np.exp, np.expm1) + assert np.isclose(irrad_fiss[0][-1], eff_fiss), "irrad fiss mismatch" grouper.full_fission_term = np.asarray([1, 1, 1]) hl = 250e3 @@ -309,8 +309,8 @@ def test_effective_fiss(): stat_fiss = grouper._get_saturation_fission_term(lams[0], np.exp) assert np.isclose(eff_fiss, stat_fiss), "Fission terms not equal" grouper.full_fission_term = np.concatenate(([0], grouper.full_fission_term)) - insitu_fiss = grouper._get_insitu_fission_component(grouper.fission_times, lams, np.exp, np.expm1) - assert np.isclose(insitu_fiss[0][-1], eff_fiss), "Insitu fiss mismatch" + irrad_fiss = grouper._get_irrad_fission_component(grouper.fission_times, lams, np.exp, np.expm1) + assert np.isclose(irrad_fiss[0][-1], eff_fiss), "irrad fiss mismatch" grouper.full_fission_term = np.asarray([1, 1, 1]) hl = 1e10 @@ -320,9 +320,9 @@ def test_effective_fiss(): assert np.isclose(eff_fiss, grouper.t_net), "Limit for long-lived incorrect" assert np.isclose(stat_fiss, grouper.t_net), "Limit for long-lived incorrect" grouper.full_fission_term = np.concatenate(([0], grouper.full_fission_term)) - insitu_fiss = grouper._get_insitu_fission_component(grouper.fission_times, lams, np.exp, np.expm1) / lams[0] - grouper.logger.error(f'{insitu_fiss = }') - assert np.isclose(insitu_fiss[0][-1], eff_fiss), "Limit for long-lived incorrect" + irrad_fiss = grouper._get_irrad_fission_component(grouper.fission_times, lams, np.exp, np.expm1) / lams[0] + grouper.logger.error(f'{irrad_fiss = }') + assert np.isclose(irrad_fiss[0][-1], eff_fiss), "Limit for long-lived incorrect" grouper.full_fission_term = np.asarray([1, 1, 1]) hl = 1e-10 @@ -332,8 +332,8 @@ def test_effective_fiss(): assert np.isclose(eff_fiss, 0), "Limit for long-lived incorrect" assert np.isclose(stat_fiss, 0), "Limit for long-lived incorrect" grouper.full_fission_term = np.concatenate(([0], grouper.full_fission_term)) - insitu_fiss = grouper._get_insitu_fission_component(grouper.fission_times, lams, np.exp, np.expm1) / lams[0] - assert np.isclose(insitu_fiss[0][-1], eff_fiss), "Limit for long-lived incorrect" + irrad_fiss = grouper._get_irrad_fission_component(grouper.fission_times, lams, np.exp, np.expm1) / lams[0] + assert np.isclose(irrad_fiss[0][-1], eff_fiss), "Limit for long-lived incorrect" grouper.full_fission_term = np.asarray([1, 1, 1]) hl = [1e-10, 1e10] @@ -341,8 +341,8 @@ def test_effective_fiss(): eff_fiss = grouper._get_effective_fission(lams, np.exp, np.expm1) / lams assert np.allclose(eff_fiss, [0.0, grouper.t_net]), "Limit for multiple incorrect" grouper.full_fission_term = np.concatenate(([0], grouper.full_fission_term)) - insitu_fiss = grouper._get_insitu_fission_component(grouper.fission_times, lams, np.exp, np.expm1) / lams[:, None] - assert np.allclose(insitu_fiss[:, -1], eff_fiss), "Limit for multiple incorrect" + irrad_fiss = grouper._get_irrad_fission_component(grouper.fission_times, lams, np.exp, np.expm1) / lams[:, None] + assert np.allclose(irrad_fiss[:, -1], eff_fiss), "Limit for multiple incorrect" @@ -374,11 +374,11 @@ def test_effective_fiss_many_ts(): eff_fiss = grouper._get_effective_fission(lams, np.exp, np.expm1) stat_fiss = grouper._get_saturation_fission_term(lam, np.exp) grouper.full_fission_term = np.concatenate(([0], grouper.full_fission_term)) - insitu_fiss = grouper._get_insitu_fission_component(grouper.fission_times, lams, np.exp, np.expm1) + irrad_fiss = grouper._get_irrad_fission_component(grouper.fission_times, lams, np.exp, np.expm1) assert np.isclose(eff_fiss, 0.9424, rtol=1e-2), "Effective fission mismatch" assert np.isclose(stat_fiss, 0.666, rtol=1e-2), "Static effective fission mismatch" - assert np.isclose(insitu_fiss[0][-1], eff_fiss, rtol=1e-2), "Final insitu doesn't match effective" + assert np.isclose(irrad_fiss[0][-1], eff_fiss, rtol=1e-2), "Final irrad doesn't match effective" full_fission[(t_mid >= 1) & (t_mid < 2)] = 1.0 @@ -388,7 +388,7 @@ def test_effective_fiss_many_ts(): eff_fiss = grouper._get_effective_fission(lams, np.exp, np.expm1) stat_fiss = grouper._get_saturation_fission_term(lam, np.exp) grouper.full_fission_term = np.concatenate(([0], grouper.full_fission_term)) - insitu_fiss = grouper._get_insitu_fission_component(grouper.fission_times, lams, np.exp, np.expm1) + irrad_fiss = grouper._get_irrad_fission_component(grouper.fission_times, lams, np.exp, np.expm1) assert np.isclose(eff_fiss, stat_fiss, atol=1e-2) - assert np.isclose(eff_fiss, insitu_fiss[0][-1], atol=1e-2) \ No newline at end of file + assert np.isclose(eff_fiss, irrad_fiss[0][-1], atol=1e-2) \ No newline at end of file From 42d359efea1c4a4422b009003c6aa700e6116f42 Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Mon, 2 Mar 2026 12:44:10 -0600 Subject: [PATCH 028/259] Clean up calculation of irrad index for short times --- mosden/base.py | 12 ++++++++---- tests/unit/test_base.py | 11 ++++++++++- 2 files changed, 18 insertions(+), 5 deletions(-) diff --git a/mosden/base.py b/mosden/base.py index f4eb627e..0f2cb841 100644 --- a/mosden/base.py +++ b/mosden/base.py @@ -333,10 +333,14 @@ def get_irrad_index(self, single_time_val: bool) -> int: in_use_time = np.min((self.openmc_settings['min_timestep'], self.t_in)) ex_use_time = np.min((self.openmc_settings['min_timestep'], self.t_ex)) - if self.t_in == 0: - return int(np.ceil(self.t_net / ex_use_time)) - if self.t_ex == 0: - return int(np.ceil(self.t_net / in_use_time)) + if self.t_in == 0 and self.t_ex != 0: + ratio = self.t_net / ex_use_time + return int(np.floor(ratio + (1 - 1e-12))) + elif self.t_ex == 0 and self.t_in != 0: + ratio = self.t_net / in_use_time + return int(np.floor(ratio + (1 - 1e-12))) + elif self.t_in == 0 and self.t_ex == 0: + raise ValueError('Residence times cannot all be zero') cycle_time = in_use_time + ex_use_time n_full = np.floor(self.t_net / cycle_time) diff --git a/tests/unit/test_base.py b/tests/unit/test_base.py index 41bc4774..90c1eae2 100644 --- a/tests/unit/test_base.py +++ b/tests/unit/test_base.py @@ -90,12 +90,14 @@ def test_irrad_and_update(): index = base.get_irrad_index(False) assert index == 3 + base.t_net = 30 base.t_in = 27 base.t_ex = 3 index = base.get_irrad_index(False) assert index == 2 base.t_net = base._update_t_net() + assert base.t_net == 57 index = base.get_irrad_index(False) assert index == 3 @@ -108,7 +110,6 @@ def test_irrad_and_update(): index = base.get_irrad_index(False) assert index == 51 - base.t_net = 30 base.t_in = 1 base.t_ex = 0.1 @@ -117,6 +118,14 @@ def test_irrad_and_update(): index = base.get_irrad_index(False) assert index == 55 + base.t_net = 0.00001 + base.t_in = 0.000001 + base.t_ex = 0 + base.t_net = base._update_t_net() + assert np.isclose(base.t_net, 0.00001) + index = base.get_irrad_index(False) + assert index == 10 + def test_times_rates_mask(): input_path = './tests/unit/input/input.json' base = BaseClass(input_path) From 437dc52c5da9806b69ab1ad7ace2399e1a8b5b2c Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Mon, 2 Mar 2026 13:31:10 -0600 Subject: [PATCH 029/259] Add [all] data (pulse doesnt vary) --- examples/phd_results/prk/input.json | 15 +++++++++++++-- 1 file changed, 13 insertions(+), 2 deletions(-) diff --git a/examples/phd_results/prk/input.json b/examples/phd_results/prk/input.json index 95b87720..c73a8b71 100644 --- a/examples/phd_results/prk/input.json +++ b/examples/phd_results/prk/input.json @@ -1,6 +1,7 @@ { - "selections": ["pulse", "intermediate", "saturation"], - "problem": "sine_relative", + "selections": ["intermediate", "intermediate [all]"], + "o_selections": ["pulse", "intermediate", "saturation"], + "problem": "step_relative", "euler_mode": "backward", "time_steps": [1e-3], "tf": 60, @@ -27,10 +28,20 @@ "yields": [0.0005810767, 0.002995618, 0.00165845, 0.0065752589, 0.004701, 0.00214555], "hls": [55.395699, 22.939397, 8.79516, 2.8361, 0.82819, 0.15777] }, + "intermediate [all]": { + "description": "Calculated using ENDFB71 data, all, (1,0) 30 second irradiation, 100 decay times, 600 decay seconds", + "yields": [0.000591267, 0.00316419, 0.002834526, 0.007079536, 0.00482916, 0.00073507], + "hls": [55.222525, 22.459077, 6.3348598, 2.0843, 0.349625, 0.006170445] + }, "saturation": { "description": "Calculated using ENDFB71 data, post-irrad, (60,0) 1200 second irradiation, 100 decay times, 600 decay seconds", "yields": [0.000576267, 0.002988244, 0.0018862306, 0.0069244077, 0.0044298534, 0.001862336], "hls": [55.4938, 23.030678, 8.43461, 2.63272, 0.7163197, 0.139332515] + }, + "saturation [all]": { + "description": "Calculated using ENDFB71 data, all, (60,0) 1200 second irradiation, 100 decay times, 600 decay seconds", + "yields": [0.0005771185, 0.0030126616, 0.0020301955, 0.007109, 0.0043759, 0.0016164], + "hls": [55.4809, 22.969864, 8.044375, 8.0443754, 2.5102436, 0.637035, 0.1137935] } } \ No newline at end of file From 7575174228fff0286aecff424ee2110827951186 Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Mon, 2 Mar 2026 13:58:03 -0600 Subject: [PATCH 030/259] Clean up chart form to use min and max data scaled to nearest 10 scale --- mosden/postprocessing.py | 19 +++++++++++++++---- 1 file changed, 15 insertions(+), 4 deletions(-) diff --git a/mosden/postprocessing.py b/mosden/postprocessing.py index dcc08857..c8d4e7d2 100644 --- a/mosden/postprocessing.py +++ b/mosden/postprocessing.py @@ -137,7 +137,8 @@ def _plot_group_vs_counts(self) -> None: plt.close() return None - def _chart_form(self, name: str, data: dict, cbar_label: str) -> None: + def _chart_form(self, name: str, data: dict, cbar_label: str, vmin: float=1e-1, + vmax: float=1e1) -> None: """ Create a chart of the nuclides with file name and with data @@ -148,6 +149,12 @@ def _chart_form(self, name: str, data: dict, cbar_label: str) -> None: data : dict[str, float] Data to plot, using the nuclide name as a key and the value to plot (of the form "XE135") + cbar_label : str + Label for the colorbar + vmin : float, optional + The minimum value of the colorbar + vmax : float, optional + The maximum value of the colorbar """ configure(permissive=True) plt.figure(figsize=(12, 8)) @@ -162,7 +169,9 @@ def _chart_form(self, name: str, data: dict, cbar_label: str) -> None: C.append(value) except KeyError: continue - norm = LogNorm(vmin=0.1, vmax=10) + vmin_use = 10 ** np.floor(np.log10(vmin)) + vmax_use = 10 ** np.ceil(np.log10(vmax)) + norm = LogNorm(vmin=vmin_use, vmax=vmax_use) plt.scatter(N, Z, c=C, norm=norm, marker="s", s=60) plt.set_cmap('viridis') cbar = plt.colorbar() @@ -278,8 +287,10 @@ def _get_sens_coeffs(self, write=False) -> tuple[list[dict[str, float]], if write: self.logger.info(f'\n{pcc_latex}') self.logger.info('Completed writing nuclides \n') - self._chart_form(name='PCC', data=summed_pcc_data, cbar_label='Sum of Pearson Correlation Coefficient Magnitudes') - self._chart_form(name='PCC_uncertainty', data=scaled_uncert_pcc, cbar_label='Sum of Relative Uncertainties Scaled by PCC Magnitudes') + chart_min_data = np.min((np.min(list(summed_pcc_data.values())), np.min(list(scaled_uncert_pcc.values())))) + chart_max_data = np.max((np.max(list(summed_pcc_data.values())), np.max(list(scaled_uncert_pcc.values())))) + self._chart_form(name='PCC', data=summed_pcc_data, cbar_label='Sum of Pearson Correlation Coefficient Magnitudes', vmin=chart_min_data, vmax=chart_max_data) + self._chart_form(name='PCC_uncertainty', data=scaled_uncert_pcc, cbar_label='Sum of Relative Uncertainties Scaled by PCC Magnitudes', vmin=chart_min_data, vmax=chart_max_data) sorted_summed_pccs = sorted(summed_pcc_data.items(), key=lambda item: item[1], reverse=True) top = 10 self.logger.info(f'Writing {top = } summed |PCC| nuclides') From edb1e812e280804a8a772d41152eeae0ef366ef1 Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Tue, 3 Mar 2026 10:22:39 -0600 Subject: [PATCH 031/259] Fix postprocessing bug and fix halflife data --- examples/phd_results/prk/input.json | 6 ++--- mosden/base.py | 28 ++++++++++++++++++++++ mosden/countrate.py | 15 ++++-------- mosden/postprocessing.py | 36 +++++++++++++++++++++-------- 4 files changed, 61 insertions(+), 24 deletions(-) diff --git a/examples/phd_results/prk/input.json b/examples/phd_results/prk/input.json index c73a8b71..b8cc6588 100644 --- a/examples/phd_results/prk/input.json +++ b/examples/phd_results/prk/input.json @@ -1,6 +1,6 @@ { - "selections": ["intermediate", "intermediate [all]"], - "o_selections": ["pulse", "intermediate", "saturation"], + "o_selections": ["intermediate", "intermediate [all]"], + "selections": ["pulse", "intermediate", "intermediate [all]", "saturation", "saturation [all]"], "problem": "step_relative", "euler_mode": "backward", "time_steps": [1e-3], @@ -41,7 +41,7 @@ "saturation [all]": { "description": "Calculated using ENDFB71 data, all, (60,0) 1200 second irradiation, 100 decay times, 600 decay seconds", "yields": [0.0005771185, 0.0030126616, 0.0020301955, 0.007109, 0.0043759, 0.0016164], - "hls": [55.4809, 22.969864, 8.044375, 8.0443754, 2.5102436, 0.637035, 0.1137935] + "hls": [55.4809, 22.969864, 8.044375, 2.5102436, 0.637035, 0.1137935] } } \ No newline at end of file diff --git a/mosden/base.py b/mosden/base.py index 0f2cb841..aca3b4bb 100644 --- a/mosden/base.py +++ b/mosden/base.py @@ -149,6 +149,8 @@ def __init__(self, input_path: str) -> None: self.post_irrad_only: bool = (len(self.residual_masks) == 1 and 'post-irrad' in self.residual_masks) self.no_post_irrad: bool = ('post-irrad' not in self.residual_masks and 'all' not in self.residual_masks) self.decay_times = self._set_decay_times() + self.use_times = self._get_use_times() + np.random.seed(self.seed) @@ -168,6 +170,32 @@ def time_track(self, starttime: float, modulename: str = '') -> None: self.logger.info(f'{modulename} took {round(time() - starttime, 3)}s') return None + def _get_use_times(self, single_time_val: bool=False) -> np.ndarray[float]: + """ + Get all the times steps over which count rate data exists + + Parameters + ---------- + single_time_val : bool + Whether the problem is evaluated at a single point in time + + Returns + ------- + use_times : np.ndarray[float] + The time values where data exists + """ + if self.post_irrad_only: + use_times = self.decay_times + else: + mask_data = self._get_times_and_rates() + use_times = np.concatenate(([0], np.cumsum(mask_data['timesteps']))) + + if self.no_post_irrad: + post_irrad_index = self.get_irrad_index(single_time_val) + use_times = use_times[:post_irrad_index+1] + return use_times + + def _set_cycle_times(self, residence_time: float) -> list[float]: """ Returns the list of times applied in OpenMC for each residence time diff --git a/mosden/countrate.py b/mosden/countrate.py index c26461b0..35649776 100644 --- a/mosden/countrate.py +++ b/mosden/countrate.py @@ -113,9 +113,10 @@ def _count_rate_from_groups(self) -> dict[str: list[float]]: counts = fit_function(self.decay_times, parameters) count_rate = np.asarray(unumpy.nominal_values(counts), dtype=float) sigma_count_rate = np.asarray(unumpy.std_devs(counts), dtype=float) + irrad_index = self.get_irrad_index(False) data = { - 'times': self.decay_times, + 'times': self.use_times[irrad_index+1:], 'counts': count_rate, 'sigma counts': sigma_count_rate } @@ -176,20 +177,12 @@ def sample_parameter(val: ufloat, dist: str) -> float: 'Error: no data exists for given data combination') data: dict[str: list[float]] = dict() - if self.post_irrad_only: - use_times = self.decay_times - else: - mask_data = self._get_times_and_rates() - use_times = np.concatenate(([0], np.cumsum(mask_data['timesteps']))) - num_data = len(list(self.concentration_data[net_similar_nucs[-1]].keys())) single_time_val = False if num_data == 1: single_time_val = True - post_irrad_index = self.get_irrad_index(single_time_val) - - if self.no_post_irrad: - use_times = use_times[:post_irrad_index+1] + use_times = self._get_use_times(single_time_val=single_time_val) + post_irrad_index = self.get_irrad_index(single_time_val=single_time_val) count_rate: np.ndarray = np.zeros(len(use_times)) sigma_count_rate: np.ndarray = np.zeros(len(use_times)) diff --git a/mosden/postprocessing.py b/mosden/postprocessing.py index c8d4e7d2..d0f8aba8 100644 --- a/mosden/postprocessing.py +++ b/mosden/postprocessing.py @@ -124,16 +124,26 @@ def _plot_group_vs_counts(self) -> None: create=False).read_vector_csv() countrate = CountRate(self.input_path) countrate.group_params = group_data - group_counts = countrate._count_rate_from_groups()['counts'] - summed_counts = CSVHandler( - self.countrate_path).read_vector_csv()['counts'] + group_data = countrate._count_rate_from_groups() + group_counts = np.asarray(group_data['counts']) + group_times = group_data['times'] + summed_data = CSVHandler( + self.countrate_path).read_vector_csv() + summed_counts = summed_data['counts'] + summed_times = summed_data['times'] + index_shift = len(summed_times) - len(group_times) + subtractor = 0 + if index_shift != 0: + subtractor = self.t_net + summed_counts = np.asarray(summed_counts[index_shift:]) + summed_times = np.asarray(summed_times[index_shift:]) pcnt_diff = (summed_counts - group_counts) / summed_counts * 100 - plt.plot(self.decay_times, pcnt_diff) + plt.plot(np.asarray(summed_times)-subtractor, pcnt_diff) plt.xlabel('Time [s]') plt.xscale('log') plt.ylabel('Relative Difference [\\%]') plt.tight_layout() - plt.savefig(f'{self.img_dir}pcnt_diff_counts.png') + plt.savefig(f'{self.img_dir}pcnt_diff_post_irrad_counts.png') plt.close() return None @@ -981,7 +991,8 @@ def _plot_counts(self) -> None: counts = self.post_data[self.names['countsMC']] countrate = CountRate(self.input_path) - times = countrate.decay_times + irrad_index = self.get_irrad_index(False) + 1 + times = countrate.use_times alpha_MC: float = 1 / np.sqrt(self.MC_samples) for MC_iterm, count_val in enumerate(counts): label = mc_label if MC_iterm == 0 else None @@ -1009,7 +1020,7 @@ def _plot_counts(self) -> None: base_sigma = np.asarray(count_data['sigma counts']) group_counts = countrate.calculate_count_rate(write_data=False) plt.plot( - times, + group_counts['times'], group_counts['counts'], color=group_color, alpha=0.75, @@ -1017,7 +1028,7 @@ def _plot_counts(self) -> None: linestyle='--', zorder=3) plt.fill_between( - times, + group_counts['times'], group_counts['counts'] - group_counts['sigma counts'], group_counts['counts'] + @@ -1039,11 +1050,11 @@ def _plot_counts(self) -> None: name = name.capitalize() countrate.group_params = lit_data data = countrate._count_rate_from_groups() - plt.plot(times, data['counts'], label=f'{name} 6-Group Fit', + plt.plot(data['times'], data['counts'], label=f'{name} 6-Group Fit', color=colors[index], linestyle=self.linestyles[index%len(self.linestyles)]) plt.fill_between( - times, + data['times'], data['counts'] - data['sigma counts'], data['counts'] + data['sigma counts'], alpha=0.3, @@ -1075,6 +1086,9 @@ def _plot_counts(self) -> None: plt.savefig(f'{self.img_dir}MC_counts.png') plt.close() + times = self.decay_times + if len(counts) > len(times): + counts = counts[irrad_index:] for MC_iterm, count_val in enumerate(counts): label = mc_label if MC_iterm == 0 else None plt.plot( @@ -1088,6 +1102,8 @@ def _plot_counts(self) -> None: count_data['sigma counts']) counts_base = unumpy.uarray(base_counts, base_sigma) + if len(counts_this_work) > len(times): + counts_this_work = counts_this_work[irrad_index:] this_over_base = counts_this_work / counts_base plt.errorbar( times, From 28b56113d0df0698189492cda9ab01b85916ac73 Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Tue, 3 Mar 2026 13:30:13 -0600 Subject: [PATCH 032/259] Add analysis for varying net irrad time --- .../phd_results/t_net_analysis/analysis.py | 33 +++++++++++++++++++ 1 file changed, 33 insertions(+) create mode 100644 examples/phd_results/t_net_analysis/analysis.py diff --git a/examples/phd_results/t_net_analysis/analysis.py b/examples/phd_results/t_net_analysis/analysis.py new file mode 100644 index 00000000..c3f6f0ad --- /dev/null +++ b/examples/phd_results/t_net_analysis/analysis.py @@ -0,0 +1,33 @@ +import matplotlib.pyplot as plt +plt.style.use('mosden.plotting') + + +endfb71_data_post_irrad = { + "0.00001": { + "yields": [0.000601, 0.00325528, 0.00323466, 0.00678078, 0.0036572234, 0.001167046], + "hls": [55.047, 22.133, 5.6015, 1.9612, 0.4696, 0.095268] + }, + "30": { + "yields": [0.0005810767, 0.002995618, 0.00165845, 0.0065752589, 0.004701, 0.00214555], + "hls": [55.395699, 22.939397, 8.79516, 2.8361, 0.82819, 0.15777] + }, + "1200": { + "yields": [0.000576267, 0.002988244, 0.0018862306, 0.0069244077, 0.0044298534, 0.001862336], + "hls": [55.4938, 23.030678, 8.43461, 2.63272, 0.7163197, 0.139332515] + } +} + +endfb71_data_all = { + "0.00001": { + "yields": [0.000601, 0.00325528, 0.00323466, 0.00678078, 0.0036572234, 0.001167046], + "hls": [55.047, 22.133, 5.6015, 1.9612, 0.4696, 0.095268] + }, + "30": { + "yields": [0.000591267, 0.00316419, 0.002834526, 0.007079536, 0.00482916, 0.00073507], + "hls": [55.222525, 22.459077, 6.3348598, 2.0843, 0.349625, 0.006170445] + }, + "1200": { + "yields": [0.0005771185, 0.0030126616, 0.0020301955, 0.007109, 0.0043759, 0.0016164], + "hls": [55.4809, 22.969864, 8.044375, 2.5102436, 0.637035, 0.1137935] + } +} \ No newline at end of file From 35b830a9895eee02428f532472fd64fa2460e706 Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Tue, 3 Mar 2026 14:32:33 -0600 Subject: [PATCH 033/259] Add relevant csv data for analysis --- .../phd_results/t_net_analysis/analysis.py | 101 +++++++++++++----- .../t_net_analysis/intermediate_10_all.csv | 7 ++ .../t_net_analysis/intermediate_10_post.csv | 7 ++ .../t_net_analysis/intermediate_120_all.csv | 7 ++ .../t_net_analysis/intermediate_120_post.csv | 7 ++ .../t_net_analysis/intermediate_30_all.csv | 7 ++ .../t_net_analysis/intermediate_30_post.csv | 7 ++ .../t_net_analysis/pulse_0.00001_all.csv | 7 ++ .../t_net_analysis/pulse_0.00001_post.csv | 7 ++ .../t_net_analysis/saturation_1200_all.csv | 7 ++ .../t_net_analysis/saturation_1200_post.csv | 7 ++ 11 files changed, 142 insertions(+), 29 deletions(-) create mode 100644 examples/phd_results/t_net_analysis/intermediate_10_all.csv create mode 100644 examples/phd_results/t_net_analysis/intermediate_10_post.csv create mode 100644 examples/phd_results/t_net_analysis/intermediate_120_all.csv create mode 100644 examples/phd_results/t_net_analysis/intermediate_120_post.csv create mode 100644 examples/phd_results/t_net_analysis/intermediate_30_all.csv create mode 100644 examples/phd_results/t_net_analysis/intermediate_30_post.csv create mode 100644 examples/phd_results/t_net_analysis/pulse_0.00001_all.csv create mode 100644 examples/phd_results/t_net_analysis/pulse_0.00001_post.csv create mode 100644 examples/phd_results/t_net_analysis/saturation_1200_all.csv create mode 100644 examples/phd_results/t_net_analysis/saturation_1200_post.csv diff --git a/examples/phd_results/t_net_analysis/analysis.py b/examples/phd_results/t_net_analysis/analysis.py index c3f6f0ad..1f1424e2 100644 --- a/examples/phd_results/t_net_analysis/analysis.py +++ b/examples/phd_results/t_net_analysis/analysis.py @@ -1,33 +1,76 @@ import matplotlib.pyplot as plt +from collections import defaultdict +from mosden.utils.csv_handler import CSVHandler +import glob +import os plt.style.use('mosden.plotting') +def plot_data(data_vals): + formatted_data = defaultdict(list) + formatted_data['yields'] = defaultdict(list) + formatted_data['hls'] = defaultdict(list) + formatted_data["xs"] = [] + xlab = 'Irradiation Time [s]' -endfb71_data_post_irrad = { - "0.00001": { - "yields": [0.000601, 0.00325528, 0.00323466, 0.00678078, 0.0036572234, 0.001167046], - "hls": [55.047, 22.133, 5.6015, 1.9612, 0.4696, 0.095268] - }, - "30": { - "yields": [0.0005810767, 0.002995618, 0.00165845, 0.0065752589, 0.004701, 0.00214555], - "hls": [55.395699, 22.939397, 8.79516, 2.8361, 0.82819, 0.15777] - }, - "1200": { - "yields": [0.000576267, 0.002988244, 0.0018862306, 0.0069244077, 0.0044298534, 0.001862336], - "hls": [55.4938, 23.030678, 8.43461, 2.63272, 0.7163197, 0.139332515] - } -} - -endfb71_data_all = { - "0.00001": { - "yields": [0.000601, 0.00325528, 0.00323466, 0.00678078, 0.0036572234, 0.001167046], - "hls": [55.047, 22.133, 5.6015, 1.9612, 0.4696, 0.095268] - }, - "30": { - "yields": [0.000591267, 0.00316419, 0.002834526, 0.007079536, 0.00482916, 0.00073507], - "hls": [55.222525, 22.459077, 6.3348598, 2.0843, 0.349625, 0.006170445] - }, - "1200": { - "yields": [0.0005771185, 0.0030126616, 0.0020301955, 0.007109, 0.0043759, 0.0016164], - "hls": [55.4809, 22.969864, 8.044375, 2.5102436, 0.637035, 0.1137935] - } -} \ No newline at end of file + for t_net, params in data_vals.items(): + formatted_data['xs'].append(t_net) + for name, data in params.items(): + for group, val in enumerate(data): + formatted_data[name][group].append(val) + + markers = ['.', '*', '>', '<', 'v', '^'] + for name, data in formatted_data.items(): + if type(data) is list: + continue + for group, params in data.items(): + plt.plot(formatted_data['xs'], params, label=f'Group {group+1}', + marker=markers[group], linestyle='--', markersize=5, + linewidth=1) + plt.legend() + plt.xlabel(xlab) + if name == 'yields': + ylab = 'Group Yield' + elif name == 'hls': + ylab = 'Group Half-life [s]' + plt.ylabel(ylab) + plt.savefig(f'{name}.png') + plt.close() + + xs = formatted_data['xs'] + yields = formatted_data['yields'] + + y_arrays = [yields[group] for group in sorted(yields.keys())] + labels = [f'Group {group + 1}' for group in sorted(yields.keys())] + + plt.stackplot(xs, y_arrays, labels=labels) + + plt.xlabel(xlab) + plt.ylabel('Yield') + plt.legend(loc='upper left') + + plt.tight_layout() + plt.savefig('stack_yields.png') + plt.close() + +def build_data_dict(data_path=r'./'): + def helper(pathmod): + files = glob.glob(os.path.join(data_path, f"*{pathmod}.csv")) + data = {} + for file in files: + file: str = file + time = file.split('_')[1] + data[time] = dict() + file_data = CSVHandler(file).read_vector_csv() + data[time]['yields'] = file_data['yield'] + data[time]['hls'] = file_data['half_life'] + data = dict(sorted(data.items())) + return data + + post_data = helper('_post') + all_data = helper('_all') + + return post_data, all_data + +if __name__ == '__main__': + post_data, all_data = build_data_dict() + plot_data(post_data) \ No newline at end of file diff --git a/examples/phd_results/t_net_analysis/intermediate_10_all.csv b/examples/phd_results/t_net_analysis/intermediate_10_all.csv new file mode 100644 index 00000000..53d0e0ef --- /dev/null +++ b/examples/phd_results/t_net_analysis/intermediate_10_all.csv @@ -0,0 +1,7 @@ +yield,sigma yield,half_life,sigma half_life +0.0005960792791545259,0.0,55.135012580612894,0.0 +0.0032076980439315044,0.0,22.300052183480698,0.0 +0.002852067744538698,0.0,6.07979006431029,0.0 +0.0072500454214785865,0.0,2.068868164010149,0.0 +0.004558198674648902,0.0,0.34336751183229575,0.0 +0.001340870481079989,0.0,0.004507230924419563,0.0 diff --git a/examples/phd_results/t_net_analysis/intermediate_10_post.csv b/examples/phd_results/t_net_analysis/intermediate_10_post.csv new file mode 100644 index 00000000..e04c3543 --- /dev/null +++ b/examples/phd_results/t_net_analysis/intermediate_10_post.csv @@ -0,0 +1,7 @@ +yield,sigma yield,half_life,sigma half_life +0.0005870727013651158,0.0,55.290077835858426,0.0 +0.003091369998492769,0.0,22.664905168525173,0.0 +0.001968341704938068,0.0,7.5899319720354885,0.0 +0.006438600070596588,0.0,2.6418605208557473,0.0 +0.004438727502047097,0.0,0.80027907621914,0.0 +0.0021307909835243557,0.0,0.15804682735133815,0.0 diff --git a/examples/phd_results/t_net_analysis/intermediate_120_all.csv b/examples/phd_results/t_net_analysis/intermediate_120_all.csv new file mode 100644 index 00000000..317d8661 --- /dev/null +++ b/examples/phd_results/t_net_analysis/intermediate_120_all.csv @@ -0,0 +1,7 @@ +yield,sigma yield,half_life,sigma half_life +0.0005823400215057117,0.0,55.38630382837625,0.0 +0.0030897459200327363,0.0,22.743864037034047,0.0 +0.0023312673910747105,0.0,7.260463540180148,0.0 +0.007188639984811037,0.0,2.281422548703631,0.0 +0.005299839054028378,0.0,0.37494942046447,0.0 +0.0003861811628406449,0.0,0.011808495575342024,0.0 diff --git a/examples/phd_results/t_net_analysis/intermediate_120_post.csv b/examples/phd_results/t_net_analysis/intermediate_120_post.csv new file mode 100644 index 00000000..07b3a8fd --- /dev/null +++ b/examples/phd_results/t_net_analysis/intermediate_120_post.csv @@ -0,0 +1,7 @@ +yield,sigma yield,half_life,sigma half_life +0.0005767048630914441,0.0,55.477220312818744,0.0 +0.0029564455268097263,0.0,23.089996196122005,0.0 +0.0017864532832818157,0.0,8.839865917748451,0.0 +0.006860686320503778,0.0,2.7158202487143988,0.0 +0.004538628126891252,0.0,0.750955358584509,0.0 +0.0019453670322669935,0.0,0.1444922641142176,0.0 diff --git a/examples/phd_results/t_net_analysis/intermediate_30_all.csv b/examples/phd_results/t_net_analysis/intermediate_30_all.csv new file mode 100644 index 00000000..d25ec2e0 --- /dev/null +++ b/examples/phd_results/t_net_analysis/intermediate_30_all.csv @@ -0,0 +1,7 @@ +yield,sigma yield,half_life,sigma half_life +0.0005911850193901523,0.0,55.22393043614616,0.0 +0.003163109413726762,0.0,22.46245897522971,0.0 +0.0028222439571752517,0.0,6.349704456768178,0.0 +0.007080343614618728,0.0,2.0901662589500822,0.0 +0.004831262210233585,0.0,0.35113048748943776,0.0 +0.0007442719988219486,0.0,0.0062679624222023445,0.0 diff --git a/examples/phd_results/t_net_analysis/intermediate_30_post.csv b/examples/phd_results/t_net_analysis/intermediate_30_post.csv new file mode 100644 index 00000000..e305bd37 --- /dev/null +++ b/examples/phd_results/t_net_analysis/intermediate_30_post.csv @@ -0,0 +1,7 @@ +yield,sigma yield,half_life,sigma half_life +0.0005811024743039744,0.0,55.39526601544824,0.0 +0.002996173853064892,0.0,22.937958196181093,0.0 +0.0016607510618795024,0.0,8.78676461612742,0.0 +0.0065818428022054246,0.0,2.8330939407621774,0.0 +0.0046993321437068525,0.0,0.8258084004380751,0.0 +0.002138155087000719,0.0,0.157340620909389,0.0 diff --git a/examples/phd_results/t_net_analysis/pulse_0.00001_all.csv b/examples/phd_results/t_net_analysis/pulse_0.00001_all.csv new file mode 100644 index 00000000..037a2fe4 --- /dev/null +++ b/examples/phd_results/t_net_analysis/pulse_0.00001_all.csv @@ -0,0 +1,7 @@ +yield,sigma yield,half_life,sigma half_life +0.0006483599627133113,0.0,54.249302430034945,0.0 +0.003603201783433704,0.0,20.75272053617694,0.0 +0.006892455512097611,0.0,3.418177728377391,0.0 +0.005634490916347498,0.0,0.8419229562786248,0.0 +0.0018999590391563853,0.0,0.13128248341716664,0.0 +2.8612956761155514e-05,0.0,0.004057200980891107,0.0 diff --git a/examples/phd_results/t_net_analysis/pulse_0.00001_post.csv b/examples/phd_results/t_net_analysis/pulse_0.00001_post.csv new file mode 100644 index 00000000..e55c9dad --- /dev/null +++ b/examples/phd_results/t_net_analysis/pulse_0.00001_post.csv @@ -0,0 +1,7 @@ +yield,sigma yield,half_life,sigma half_life +0.0006010003059852591,0.0,55.04723041412313,0.0 +0.003255280588350585,0.0,22.133220787208796,0.0 +0.0032346608600193516,0.0,5.601539640596733,0.0 +0.006780784272096461,0.0,1.9611956331472495,0.0 +0.0036572233997257285,0.0,0.46959941257806,0.0 +0.0011670464710297904,0.0,0.0952681389499337,0.0 diff --git a/examples/phd_results/t_net_analysis/saturation_1200_all.csv b/examples/phd_results/t_net_analysis/saturation_1200_all.csv new file mode 100644 index 00000000..5344c0d2 --- /dev/null +++ b/examples/phd_results/t_net_analysis/saturation_1200_all.csv @@ -0,0 +1,7 @@ +yield,sigma yield,half_life,sigma half_life +0.0005771243371292638,0.0,55.48081611875357,0.0 +0.003012739319976157,0.0,22.969586143388984,0.0 +0.002030301243574989,0.0,8.043850048784337,0.0 +0.007109375113888054,0.0,2.510086618543929,0.0 +0.0043760294212489715,0.0,0.6368977344666057,0.0 +0.0016159408687693988,0.0,0.11373253387826857,0.0 diff --git a/examples/phd_results/t_net_analysis/saturation_1200_post.csv b/examples/phd_results/t_net_analysis/saturation_1200_post.csv new file mode 100644 index 00000000..eb382360 --- /dev/null +++ b/examples/phd_results/t_net_analysis/saturation_1200_post.csv @@ -0,0 +1,7 @@ +yield,sigma yield,half_life,sigma half_life +0.0005762611622725469,0.0,55.493895657763666,0.0 +0.0029881883988900804,0.0,23.030931376368496,0.0 +0.0018865443985343047,0.0,8.434280814626245,0.0 +0.00692468430202603,0.0,2.6325228359849797,0.0 +0.004429601324485666,0.0,0.7162201664170799,0.0 +0.001862075575732143,0.0,0.13931585236741362,0.0 From 4f30d8ae94762e13cdbdef4c7d891c8cee6fa6a7 Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Tue, 3 Mar 2026 14:57:42 -0600 Subject: [PATCH 034/259] Move data and update analysis --- examples/phd_results/t_net_analysis/analysis.py | 16 ++++++++++------ .../{ => data}/intermediate_10_all.csv | 0 .../{ => data}/intermediate_10_post.csv | 0 .../{ => data}/intermediate_120_all.csv | 0 .../{ => data}/intermediate_120_post.csv | 0 .../{ => data}/intermediate_30_all.csv | 0 .../{ => data}/intermediate_30_post.csv | 0 .../t_net_analysis/data/intermediate_5_all.csv | 7 +++++++ .../t_net_analysis/data/intermediate_5_post.csv | 7 +++++++ .../{ => data}/pulse_0.00001_all.csv | 0 .../{ => data}/pulse_0.00001_post.csv | 0 .../{ => data}/saturation_1200_all.csv | 0 .../{ => data}/saturation_1200_post.csv | 0 13 files changed, 24 insertions(+), 6 deletions(-) rename examples/phd_results/t_net_analysis/{ => data}/intermediate_10_all.csv (100%) rename examples/phd_results/t_net_analysis/{ => data}/intermediate_10_post.csv (100%) rename examples/phd_results/t_net_analysis/{ => data}/intermediate_120_all.csv (100%) rename examples/phd_results/t_net_analysis/{ => data}/intermediate_120_post.csv (100%) rename examples/phd_results/t_net_analysis/{ => data}/intermediate_30_all.csv (100%) rename examples/phd_results/t_net_analysis/{ => data}/intermediate_30_post.csv (100%) create mode 100644 examples/phd_results/t_net_analysis/data/intermediate_5_all.csv create mode 100644 examples/phd_results/t_net_analysis/data/intermediate_5_post.csv rename examples/phd_results/t_net_analysis/{ => data}/pulse_0.00001_all.csv (100%) rename examples/phd_results/t_net_analysis/{ => data}/pulse_0.00001_post.csv (100%) rename examples/phd_results/t_net_analysis/{ => data}/saturation_1200_all.csv (100%) rename examples/phd_results/t_net_analysis/{ => data}/saturation_1200_post.csv (100%) diff --git a/examples/phd_results/t_net_analysis/analysis.py b/examples/phd_results/t_net_analysis/analysis.py index 1f1424e2..77f54661 100644 --- a/examples/phd_results/t_net_analysis/analysis.py +++ b/examples/phd_results/t_net_analysis/analysis.py @@ -5,12 +5,13 @@ import os plt.style.use('mosden.plotting') -def plot_data(data_vals): +def plot_data(data_vals, namemod=''): formatted_data = defaultdict(list) formatted_data['yields'] = defaultdict(list) formatted_data['hls'] = defaultdict(list) formatted_data["xs"] = [] xlab = 'Irradiation Time [s]' + xscale = 'log' for t_net, params in data_vals.items(): formatted_data['xs'].append(t_net) @@ -28,12 +29,13 @@ def plot_data(data_vals): linewidth=1) plt.legend() plt.xlabel(xlab) + plt.xscale(xscale) if name == 'yields': ylab = 'Group Yield' elif name == 'hls': ylab = 'Group Half-life [s]' plt.ylabel(ylab) - plt.savefig(f'{name}.png') + plt.savefig(f'{name}{namemod}.png') plt.close() xs = formatted_data['xs'] @@ -45,20 +47,21 @@ def plot_data(data_vals): plt.stackplot(xs, y_arrays, labels=labels) plt.xlabel(xlab) + plt.xscale(xscale) plt.ylabel('Yield') plt.legend(loc='upper left') plt.tight_layout() - plt.savefig('stack_yields.png') + plt.savefig(f'stack_yields{namemod}.png') plt.close() -def build_data_dict(data_path=r'./'): +def build_data_dict(data_path=r'./data/'): def helper(pathmod): files = glob.glob(os.path.join(data_path, f"*{pathmod}.csv")) data = {} for file in files: file: str = file - time = file.split('_')[1] + time = float(file.split('_')[1]) data[time] = dict() file_data = CSVHandler(file).read_vector_csv() data[time]['yields'] = file_data['yield'] @@ -73,4 +76,5 @@ def helper(pathmod): if __name__ == '__main__': post_data, all_data = build_data_dict() - plot_data(post_data) \ No newline at end of file + plot_data(post_data, '_post') + plot_data(all_data, '_all') \ No newline at end of file diff --git a/examples/phd_results/t_net_analysis/intermediate_10_all.csv b/examples/phd_results/t_net_analysis/data/intermediate_10_all.csv similarity index 100% rename from examples/phd_results/t_net_analysis/intermediate_10_all.csv rename to examples/phd_results/t_net_analysis/data/intermediate_10_all.csv diff --git a/examples/phd_results/t_net_analysis/intermediate_10_post.csv b/examples/phd_results/t_net_analysis/data/intermediate_10_post.csv similarity index 100% rename from examples/phd_results/t_net_analysis/intermediate_10_post.csv rename to examples/phd_results/t_net_analysis/data/intermediate_10_post.csv diff --git a/examples/phd_results/t_net_analysis/intermediate_120_all.csv b/examples/phd_results/t_net_analysis/data/intermediate_120_all.csv similarity index 100% rename from examples/phd_results/t_net_analysis/intermediate_120_all.csv rename to examples/phd_results/t_net_analysis/data/intermediate_120_all.csv diff --git a/examples/phd_results/t_net_analysis/intermediate_120_post.csv b/examples/phd_results/t_net_analysis/data/intermediate_120_post.csv similarity index 100% rename from examples/phd_results/t_net_analysis/intermediate_120_post.csv rename to examples/phd_results/t_net_analysis/data/intermediate_120_post.csv diff --git a/examples/phd_results/t_net_analysis/intermediate_30_all.csv b/examples/phd_results/t_net_analysis/data/intermediate_30_all.csv similarity index 100% rename from examples/phd_results/t_net_analysis/intermediate_30_all.csv rename to examples/phd_results/t_net_analysis/data/intermediate_30_all.csv diff --git a/examples/phd_results/t_net_analysis/intermediate_30_post.csv b/examples/phd_results/t_net_analysis/data/intermediate_30_post.csv similarity index 100% rename from examples/phd_results/t_net_analysis/intermediate_30_post.csv rename to examples/phd_results/t_net_analysis/data/intermediate_30_post.csv diff --git a/examples/phd_results/t_net_analysis/data/intermediate_5_all.csv b/examples/phd_results/t_net_analysis/data/intermediate_5_all.csv new file mode 100644 index 00000000..cfc5febb --- /dev/null +++ b/examples/phd_results/t_net_analysis/data/intermediate_5_all.csv @@ -0,0 +1,7 @@ +yield,sigma yield,half_life,sigma half_life +0.0006040269933788191,0.0,54.99680567432679,0.0 +0.0032856673874108776,0.0,22.026042584018736,0.0 +0.003569557213842515,0.0,5.299852716912248,0.0 +0.0069782715302884124,0.0,1.8038796498336802,0.0 +0.004055442992768717,0.0,0.31053717635571987,0.0 +0.0018310736631602115,0.0,0.0035938010426241267,0.0 diff --git a/examples/phd_results/t_net_analysis/data/intermediate_5_post.csv b/examples/phd_results/t_net_analysis/data/intermediate_5_post.csv new file mode 100644 index 00000000..f8f99a4c --- /dev/null +++ b/examples/phd_results/t_net_analysis/data/intermediate_5_post.csv @@ -0,0 +1,7 @@ +yield,sigma yield,half_life,sigma half_life +0.0005904140511414849,0.0,55.23145144394892,0.0 +0.0031371175622057013,0.0,22.52568079668908,0.0 +0.0022401297336000223,0.0,6.979697394504298,0.0 +0.006544079642354292,0.0,2.462907449353168,0.0 +0.004128534894667884,0.0,0.7361235759565475,0.0 +0.0020150655483998285,0.0,0.15158001703723162,0.0 diff --git a/examples/phd_results/t_net_analysis/pulse_0.00001_all.csv b/examples/phd_results/t_net_analysis/data/pulse_0.00001_all.csv similarity index 100% rename from examples/phd_results/t_net_analysis/pulse_0.00001_all.csv rename to examples/phd_results/t_net_analysis/data/pulse_0.00001_all.csv diff --git a/examples/phd_results/t_net_analysis/pulse_0.00001_post.csv b/examples/phd_results/t_net_analysis/data/pulse_0.00001_post.csv similarity index 100% rename from examples/phd_results/t_net_analysis/pulse_0.00001_post.csv rename to examples/phd_results/t_net_analysis/data/pulse_0.00001_post.csv diff --git a/examples/phd_results/t_net_analysis/saturation_1200_all.csv b/examples/phd_results/t_net_analysis/data/saturation_1200_all.csv similarity index 100% rename from examples/phd_results/t_net_analysis/saturation_1200_all.csv rename to examples/phd_results/t_net_analysis/data/saturation_1200_all.csv diff --git a/examples/phd_results/t_net_analysis/saturation_1200_post.csv b/examples/phd_results/t_net_analysis/data/saturation_1200_post.csv similarity index 100% rename from examples/phd_results/t_net_analysis/saturation_1200_post.csv rename to examples/phd_results/t_net_analysis/data/saturation_1200_post.csv From ab53c0563e9234dd42cf7abd564cb7d538da8cb5 Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Tue, 3 Mar 2026 15:25:41 -0600 Subject: [PATCH 035/259] Fix count rate bug for post processing --- mosden/countrate.py | 9 +++++++-- 1 file changed, 7 insertions(+), 2 deletions(-) diff --git a/mosden/countrate.py b/mosden/countrate.py index 35649776..ee173665 100644 --- a/mosden/countrate.py +++ b/mosden/countrate.py @@ -97,6 +97,12 @@ def _count_rate_from_groups(self) -> dict[str: list[float]]: else: raise NotImplementedError(msg) + irrad_index = self.get_irrad_index(False) + if self.post_irrad_only: + use_times = self.decay_times + else: + use_times = self.use_times[irrad_index+1:] + parameters = np.zeros(grouper.num_groups * 2, dtype=object) for i in range(grouper.num_groups): yield_val = ufloat( @@ -113,10 +119,9 @@ def _count_rate_from_groups(self) -> dict[str: list[float]]: counts = fit_function(self.decay_times, parameters) count_rate = np.asarray(unumpy.nominal_values(counts), dtype=float) sigma_count_rate = np.asarray(unumpy.std_devs(counts), dtype=float) - irrad_index = self.get_irrad_index(False) data = { - 'times': self.use_times[irrad_index+1:], + 'times': use_times, 'counts': count_rate, 'sigma counts': sigma_count_rate } From 3b284b4e46bae4999163877532c46830e7a366be Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Tue, 3 Mar 2026 15:38:18 -0600 Subject: [PATCH 036/259] Add more data to analysis --- examples/phd_results/t_net_analysis/analysis.py | 1 + .../t_net_analysis/data/intermediate_0.01_all.csv | 7 +++++++ .../t_net_analysis/data/intermediate_0.01_post.csv | 7 +++++++ .../t_net_analysis/data/intermediate_0.1_all.csv | 7 +++++++ .../t_net_analysis/data/intermediate_0.1_post.csv | 7 +++++++ .../phd_results/t_net_analysis/data/intermediate_1_all.csv | 7 +++++++ .../t_net_analysis/data/intermediate_1_post.csv | 7 +++++++ 7 files changed, 43 insertions(+) create mode 100644 examples/phd_results/t_net_analysis/data/intermediate_0.01_all.csv create mode 100644 examples/phd_results/t_net_analysis/data/intermediate_0.01_post.csv create mode 100644 examples/phd_results/t_net_analysis/data/intermediate_0.1_all.csv create mode 100644 examples/phd_results/t_net_analysis/data/intermediate_0.1_post.csv create mode 100644 examples/phd_results/t_net_analysis/data/intermediate_1_all.csv create mode 100644 examples/phd_results/t_net_analysis/data/intermediate_1_post.csv diff --git a/examples/phd_results/t_net_analysis/analysis.py b/examples/phd_results/t_net_analysis/analysis.py index 77f54661..564027f2 100644 --- a/examples/phd_results/t_net_analysis/analysis.py +++ b/examples/phd_results/t_net_analysis/analysis.py @@ -34,6 +34,7 @@ def plot_data(data_vals, namemod=''): ylab = 'Group Yield' elif name == 'hls': ylab = 'Group Half-life [s]' + plt.yscale('log') plt.ylabel(ylab) plt.savefig(f'{name}{namemod}.png') plt.close() diff --git a/examples/phd_results/t_net_analysis/data/intermediate_0.01_all.csv b/examples/phd_results/t_net_analysis/data/intermediate_0.01_all.csv new file mode 100644 index 00000000..5c812403 --- /dev/null +++ b/examples/phd_results/t_net_analysis/data/intermediate_0.01_all.csv @@ -0,0 +1,7 @@ +yield,sigma yield,half_life,sigma half_life +0.0006485018518832016,0.0,54.2469856753461,0.0 +0.0036040603696307905,0.0,20.749027901277156,0.0 +0.006900010280872543,0.0,3.4150939273763403,0.0 +0.005632050428006963,0.0,0.8399619029265551,0.0 +0.0018971833873130657,0.0,0.13065211904843477,0.0 +2.4623215498992977e-05,0.0,0.0010000000000000002,0.0 diff --git a/examples/phd_results/t_net_analysis/data/intermediate_0.01_post.csv b/examples/phd_results/t_net_analysis/data/intermediate_0.01_post.csv new file mode 100644 index 00000000..951243d8 --- /dev/null +++ b/examples/phd_results/t_net_analysis/data/intermediate_0.01_post.csv @@ -0,0 +1,7 @@ +yield,sigma yield,half_life,sigma half_life +0.0006008555876926074,0.0,55.04973097665621,0.0 +0.0032538616121506993,0.0,22.13821610446272,0.0 +0.003220838250943124,0.0,5.615787757111658,0.0 +0.00678174382603953,0.0,1.9667995273608267,0.0 +0.00366131834572984,0.0,0.4721474302593159,0.0 +0.00117658898775106,0.0,0.09601983117696204,0.0 diff --git a/examples/phd_results/t_net_analysis/data/intermediate_0.1_all.csv b/examples/phd_results/t_net_analysis/data/intermediate_0.1_all.csv new file mode 100644 index 00000000..dc5fa92c --- /dev/null +++ b/examples/phd_results/t_net_analysis/data/intermediate_0.1_all.csv @@ -0,0 +1,7 @@ +yield,sigma yield,half_life,sigma half_life +0.0006453473469655309,0.0,54.298815148000386,0.0 +0.0035848091840109324,0.0,20.83134371204134,0.0 +0.006722002274506182,0.0,3.487324533092996,0.0 +0.005685382325368996,0.0,0.8872719240352288,0.0 +0.002019732218546167,0.0,0.14274090925701588,0.0 +0.00017298158522748038,0.0,0.0023762578890053655,0.0 diff --git a/examples/phd_results/t_net_analysis/data/intermediate_0.1_post.csv b/examples/phd_results/t_net_analysis/data/intermediate_0.1_post.csv new file mode 100644 index 00000000..2c7782c8 --- /dev/null +++ b/examples/phd_results/t_net_analysis/data/intermediate_0.1_post.csv @@ -0,0 +1,7 @@ +yield,sigma yield,half_life,sigma half_life +0.000599786164298651,0.0,55.0682206693197,0.0 +0.003243239058797959,0.0,22.175399604072048,0.0 +0.0031186126524967495,0.0,5.724229027857738,0.0 +0.006786074919922997,0.0,2.0090780583378023,0.0 +0.0036899531367383153,0.0,0.4919526840121775,0.0 +0.0012493498153551366,0.0,0.10209310785234799,0.0 diff --git a/examples/phd_results/t_net_analysis/data/intermediate_1_all.csv b/examples/phd_results/t_net_analysis/data/intermediate_1_all.csv new file mode 100644 index 00000000..437b7dd3 --- /dev/null +++ b/examples/phd_results/t_net_analysis/data/intermediate_1_all.csv @@ -0,0 +1,7 @@ +yield,sigma yield,half_life,sigma half_life +0.0006086262937084633,0.0,54.91640504645117,0.0 +0.0033250707126951905,0.0,21.87971705687883,0.0 +0.003949574576303563,0.0,4.970151056033985,0.0 +0.0066446222836115,0.0,1.6991109207325052,0.0 +0.003570886091169657,0.0,0.35787759324900703,0.0 +0.0012549488909106414,0.0,0.015288249158700713,0.0 diff --git a/examples/phd_results/t_net_analysis/data/intermediate_1_post.csv b/examples/phd_results/t_net_analysis/data/intermediate_1_post.csv new file mode 100644 index 00000000..5d00a83c --- /dev/null +++ b/examples/phd_results/t_net_analysis/data/intermediate_1_post.csv @@ -0,0 +1,7 @@ +yield,sigma yield,half_life,sigma half_life +0.0005958154458226755,0.0,55.13710442225809,0.0 +0.003201467002514021,0.0,22.317924063808807,0.0 +0.002739069631935949,0.0,6.182045540269402,0.0 +0.006746951485608541,0.0,2.182126582675833,0.0 +0.003776253848630239,0.0,0.5845317036745138,0.0 +0.0016138318005039574,0.0,0.1289300613718118,0.0 From 0efebc6dfc2532cef6356eb8e9b17c6be4eba333 Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Wed, 4 Mar 2026 11:24:14 -0600 Subject: [PATCH 037/259] Add more data and total yields analysis --- .../phd_results/t_net_analysis/analysis.py | 18 ++++++++++++++++++ .../data/intermediate_0.001_all.csv | 7 +++++++ .../data/intermediate_0.001_post.csv | 7 +++++++ .../t_net_analysis/data/intermediate_2_all.csv | 7 +++++++ .../data/intermediate_2_post.csv | 7 +++++++ .../t_net_analysis/data/intermediate_3_all.csv | 7 +++++++ .../data/intermediate_3_post.csv | 7 +++++++ .../t_net_analysis/data/intermediate_4_all.csv | 7 +++++++ .../data/intermediate_4_post.csv | 7 +++++++ .../data/intermediate_600_all.csv | 7 +++++++ .../data/intermediate_600_post.csv | 7 +++++++ 11 files changed, 88 insertions(+) create mode 100644 examples/phd_results/t_net_analysis/data/intermediate_0.001_all.csv create mode 100644 examples/phd_results/t_net_analysis/data/intermediate_0.001_post.csv create mode 100644 examples/phd_results/t_net_analysis/data/intermediate_2_all.csv create mode 100644 examples/phd_results/t_net_analysis/data/intermediate_2_post.csv create mode 100644 examples/phd_results/t_net_analysis/data/intermediate_3_all.csv create mode 100644 examples/phd_results/t_net_analysis/data/intermediate_3_post.csv create mode 100644 examples/phd_results/t_net_analysis/data/intermediate_4_all.csv create mode 100644 examples/phd_results/t_net_analysis/data/intermediate_4_post.csv create mode 100644 examples/phd_results/t_net_analysis/data/intermediate_600_all.csv create mode 100644 examples/phd_results/t_net_analysis/data/intermediate_600_post.csv diff --git a/examples/phd_results/t_net_analysis/analysis.py b/examples/phd_results/t_net_analysis/analysis.py index 564027f2..9d373f51 100644 --- a/examples/phd_results/t_net_analysis/analysis.py +++ b/examples/phd_results/t_net_analysis/analysis.py @@ -13,6 +13,14 @@ def plot_data(data_vals, namemod=''): xlab = 'Irradiation Time [s]' xscale = 'log' + total_yields = [] + for t, params in data_vals.items(): + for key, vals in params.items(): + if key == 'yields': + total_yield = sum(vals) + total_yields.append(total_yield) + max_index = total_yields.index(max(total_yields)) + for t_net, params in data_vals.items(): formatted_data['xs'].append(t_net) for name, data in params.items(): @@ -20,6 +28,16 @@ def plot_data(data_vals, namemod=''): formatted_data[name][group].append(val) markers = ['.', '*', '>', '<', 'v', '^'] + print(f'Maximum yield of {total_yields[max_index]} at {formatted_data["xs"][max_index]}s') + plt.plot(formatted_data['xs'], total_yields) + plt.xscale(xscale) + plt.xlabel(xlab) + plt.ylabel('Total Yield') + plt.savefig(f'total_yield{namemod}.png') + plt.close() + + + for name, data in formatted_data.items(): if type(data) is list: continue diff --git a/examples/phd_results/t_net_analysis/data/intermediate_0.001_all.csv b/examples/phd_results/t_net_analysis/data/intermediate_0.001_all.csv new file mode 100644 index 00000000..fe1c47e5 --- /dev/null +++ b/examples/phd_results/t_net_analysis/data/intermediate_0.001_all.csv @@ -0,0 +1,7 @@ +yield,sigma yield,half_life,sigma half_life +0.0006499096769369495,0.0,54.22394242342692,0.0 +0.003612551633452274,0.0,20.712549679607605,0.0 +0.006976008391641474,0.0,3.3845073029727235,0.0 +0.005607032005514416,0.0,0.8201904585702068,0.0 +0.0018402138932761744,0.0,0.12620856467784933,0.0 +8.381311020611309e-06,0.0,0.0010000000000000002,0.0 diff --git a/examples/phd_results/t_net_analysis/data/intermediate_0.001_post.csv b/examples/phd_results/t_net_analysis/data/intermediate_0.001_post.csv new file mode 100644 index 00000000..c2a91f06 --- /dev/null +++ b/examples/phd_results/t_net_analysis/data/intermediate_0.001_post.csv @@ -0,0 +1,7 @@ +yield,sigma yield,half_life,sigma half_life +0.0006009856919977145,0.0,55.04748291105819,0.0 +0.0032551374913199435,0.0,22.133724839690096,0.0 +0.0032332651271008116,0.0,5.602973990360857,0.0 +0.006780884948189207,0.0,1.961760325227637,0.0 +0.00365763910509533,0.0,0.4698553892465339,0.0 +0.0011680076099961233,0.0,0.09534331347729975,0.0 diff --git a/examples/phd_results/t_net_analysis/data/intermediate_2_all.csv b/examples/phd_results/t_net_analysis/data/intermediate_2_all.csv new file mode 100644 index 00000000..e6e98d69 --- /dev/null +++ b/examples/phd_results/t_net_analysis/data/intermediate_2_all.csv @@ -0,0 +1,7 @@ +yield,sigma yield,half_life,sigma half_life +0.0006263892162067747,0.0,54.61523783342842,0.0 +0.003461351085999831,0.0,21.346359447850258,0.0 +0.005463035391559748,0.0,4.053420132372419,0.0 +0.006225119025448004,0.0,1.2253311135018417,0.0 +0.0028132840954583683,0.0,0.19840416473769726,0.0 +0.0010237354709824056,0.0,0.004263335271984507,0.0 diff --git a/examples/phd_results/t_net_analysis/data/intermediate_2_post.csv b/examples/phd_results/t_net_analysis/data/intermediate_2_post.csv new file mode 100644 index 00000000..5b0cdf1b --- /dev/null +++ b/examples/phd_results/t_net_analysis/data/intermediate_2_post.csv @@ -0,0 +1,7 @@ +yield,sigma yield,half_life,sigma half_life +0.0005938318006019015,0.0,55.17167215796692,0.0 +0.003178993193604193,0.0,22.392115022438382,0.0 +0.002551465382412492,0.0,6.448980277194463,0.0 +0.006687916480591118,0.0,2.279717171213451,0.0 +0.0038488166863012503,0.0,0.641530422099903,0.0 +0.0018012500083226714,0.0,0.1395154918970284,0.0 diff --git a/examples/phd_results/t_net_analysis/data/intermediate_3_all.csv b/examples/phd_results/t_net_analysis/data/intermediate_3_all.csv new file mode 100644 index 00000000..014a8d0c --- /dev/null +++ b/examples/phd_results/t_net_analysis/data/intermediate_3_all.csv @@ -0,0 +1,7 @@ +yield,sigma yield,half_life,sigma half_life +0.0006188858643760996,0.0,54.742546658750584,0.0 +0.0034075733491696794,0.0,21.562579701225726,0.0 +0.0048909808497902,0.0,4.365341577673077,0.0 +0.0066001300771524425,0.0,1.374740027500838,0.0 +0.003146833501667833,0.0,0.19276381383953434,0.0 +0.0009984691598396826,0.0,0.0022472902205434263,0.0 diff --git a/examples/phd_results/t_net_analysis/data/intermediate_3_post.csv b/examples/phd_results/t_net_analysis/data/intermediate_3_post.csv new file mode 100644 index 00000000..73ccc12e --- /dev/null +++ b/examples/phd_results/t_net_analysis/data/intermediate_3_post.csv @@ -0,0 +1,7 @@ +yield,sigma yield,half_life,sigma half_life +0.0005920974849588064,0.0,55.20197603287414,0.0 +0.003158291408853417,0.0,22.458901690967924,0.0 +0.0023908047135946385,0.0,6.706526714901117,0.0 +0.0066181346070878985,0.0,2.370875249808899,0.0 +0.003969532986168156,0.0,0.6917857850932042,0.0 +0.001923344322672401,0.0,0.1463294252893909,0.0 diff --git a/examples/phd_results/t_net_analysis/data/intermediate_4_all.csv b/examples/phd_results/t_net_analysis/data/intermediate_4_all.csv new file mode 100644 index 00000000..233448c7 --- /dev/null +++ b/examples/phd_results/t_net_analysis/data/intermediate_4_all.csv @@ -0,0 +1,7 @@ +yield,sigma yield,half_life,sigma half_life +0.0006128170829504414,0.0,54.846004003273706,0.0 +0.0033607800074906225,0.0,21.74529226799735,0.0 +0.0043790713188775685,0.0,4.682629795900243,0.0 +0.006809123979373981,0.0,1.52674840336516,0.0 +0.0034690074340597496,0.0,0.22246950402019913,0.0 +0.0011326338446230708,0.0,0.002582898398175469,0.0 diff --git a/examples/phd_results/t_net_analysis/data/intermediate_4_post.csv b/examples/phd_results/t_net_analysis/data/intermediate_4_post.csv new file mode 100644 index 00000000..a79a8b1f --- /dev/null +++ b/examples/phd_results/t_net_analysis/data/intermediate_4_post.csv @@ -0,0 +1,7 @@ +yield,sigma yield,half_life,sigma half_life +0.0005913451669565439,0.0,55.21514052814437,0.0 +0.003148967018047109,0.0,22.488497265861213,0.0 +0.002322649109552858,0.0,6.825749901184098,0.0 +0.0065848230820852015,0.0,2.411759446983226,0.0 +0.004036181844800443,0.0,0.71253927043821,0.0 +0.001968557919406881,0.0,0.14896036242025062,0.0 diff --git a/examples/phd_results/t_net_analysis/data/intermediate_600_all.csv b/examples/phd_results/t_net_analysis/data/intermediate_600_all.csv new file mode 100644 index 00000000..3df93ecd --- /dev/null +++ b/examples/phd_results/t_net_analysis/data/intermediate_600_all.csv @@ -0,0 +1,7 @@ +yield,sigma yield,half_life,sigma half_life +0.0005789431597744432,0.0,55.45308337627322,0.0 +0.0030606650371916557,0.0,22.846884339999015,0.0 +0.002293762517943019,0.0,7.372470207605848,0.0 +0.007202992783117786,0.0,2.346831111495085,0.0 +0.004256297356130838,0.0,0.558691092398395,0.0 +0.0013756165479870746,0.0,0.09064126062053926,0.0 diff --git a/examples/phd_results/t_net_analysis/data/intermediate_600_post.csv b/examples/phd_results/t_net_analysis/data/intermediate_600_post.csv new file mode 100644 index 00000000..6d829269 --- /dev/null +++ b/examples/phd_results/t_net_analysis/data/intermediate_600_post.csv @@ -0,0 +1,7 @@ +yield,sigma yield,half_life,sigma half_life +0.0005762537167555658,0.0,55.49390818310142,0.0 +0.0029881579652593976,0.0,23.031149723077817,0.0 +0.001886672218267134,0.0,8.434057691141492,0.0 +0.006924716379900181,0.0,2.6324698838758764,0.0 +0.004429534624673338,0.0,0.7161978226253582,0.0 +0.001862019901422795,0.0,0.1393123536322186,0.0 From 9af7f89cb137647c727fa9b785a265f2a1503cd1 Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Wed, 4 Mar 2026 11:40:02 -0600 Subject: [PATCH 038/259] Add new example for four DNPs and fix overwrite function --- examples/four_dnps/emission_probability.csv | 5 ++ examples/four_dnps/input.json | 65 +++++++++++++++++++++ mosden/utils/csv_handler.py | 1 + 3 files changed, 71 insertions(+) create mode 100644 examples/four_dnps/emission_probability.csv create mode 100644 examples/four_dnps/input.json diff --git a/examples/four_dnps/emission_probability.csv b/examples/four_dnps/emission_probability.csv new file mode 100644 index 00000000..fb9bbe00 --- /dev/null +++ b/examples/four_dnps/emission_probability.csv @@ -0,0 +1,5 @@ +Nuclide,emission probability,sigma emission probability,half_life,sigma half_life +Br87,0.026,0.0004,55.65,0.13 +I137,0.0714,0.0023,24.5,0.2 +Rb94,0.105,0.004,2.702,0.005 +As86,0.1248662982,1e-12,0.945,0.008 \ No newline at end of file diff --git a/examples/four_dnps/input.json b/examples/four_dnps/input.json new file mode 100644 index 00000000..005a02b6 --- /dev/null +++ b/examples/four_dnps/input.json @@ -0,0 +1,65 @@ +{ + "name": "Four DNPs", + "file_options": { + "overwrite": { + "preprocessing": false, + "concentrations": true, + "count_rate": true, + "group_fitting": true, + "postprocessing": true, + "logger": true + }, + "unprocessed_data_dir": "/home/luke/github/mosden/mosden/data/unprocessed/", + "log_level": 20 + }, + "data_options": { + "half_life": "endfb71/decay/", + "cross_section": "", + "emission_probability": "endfb71/decay/", + "fission_yield": "endfb71/nfy/", + "decay_time_spacing": "log", + "temperature_K": 920, + "density_g_cm3": 2.3275, + "energy_MeV": 0.0253e-6, + "fissile_fractions": { + "U235": 1.0 + } + }, + "modeling_options": { + "concentration_handling": "OMC", + "count_rate_handling": "data", + "residual_handling": ["all"], + "reprocessing_locations": ["excore"], + "reprocessing": { + "Xe": 0.0 + }, + "irrad_type": "intermediate", + "spatial_scaling": { + "flux": false, + "reprocessing": false + }, + "base_removal_scaling": 0.5, + "incore_s": 0.5, + "excore_s": 0, + "net_irrad_s": 5, + "decay_time": 600, + "num_decay_times": 100, + "openmc_settings": { + "nps": 5000, + "batches": 10, + "source": 1e3, + "run_omc": true, + "write_fission_json": true, + "write_nuyield_json": true, + "min_timestep": 1e10 + } + }, + "group_options": { + "num_groups": 4, + "method": "nlls", + "parameter_guesses": 10, + "samples": 1, + "sample_func": "normal", + "seed": 1 + } +} diff --git a/mosden/utils/csv_handler.py b/mosden/utils/csv_handler.py index a849a522..5ea19166 100644 --- a/mosden/utils/csv_handler.py +++ b/mosden/utils/csv_handler.py @@ -160,6 +160,7 @@ def write_csv(self, data: dict[str: dict[str, float]]) -> None: """ if not self.overwrite and self._file_exists(): self.logger.warning(f"File {self.file_path} already exists. Set overwrite=True to overwrite.") + return None df = pd.DataFrame.from_dict(data, orient='index') df.index.name = 'Nuclide' df.to_csv(self.file_path, index=True) From 32efef2eb6d57975dd62d7530e6ea9a5c94d7f8c Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Wed, 4 Mar 2026 12:01:37 -0600 Subject: [PATCH 039/259] Add a test to make sure irrad fit working as expected --- tests/unit/test_groupfit.py | 23 ++++++++++++++++++++++- 1 file changed, 22 insertions(+), 1 deletion(-) diff --git a/tests/unit/test_groupfit.py b/tests/unit/test_groupfit.py index 80633a78..1a61cab5 100644 --- a/tests/unit/test_groupfit.py +++ b/tests/unit/test_groupfit.py @@ -391,4 +391,25 @@ def test_effective_fiss_many_ts(): irrad_fiss = grouper._get_irrad_fission_component(grouper.fission_times, lams, np.exp, np.expm1) assert np.isclose(eff_fiss, stat_fiss, atol=1e-2) - assert np.isclose(eff_fiss, irrad_fiss[0][-1], atol=1e-2) \ No newline at end of file + assert np.isclose(eff_fiss, irrad_fiss[0][-1], atol=1e-2) + +def test_irrad_fit(): + input_path = './tests/unit/input/input.json' + grouper = Grouper(input_path) + tf = 1000 + times = np.arange(0, tf, tf/100) + grouper.fission_times = times + grouper.t_net = tf + grouper.full_fission_term = np.ones(len(times)) + yield_val = 1 + half_life = 10 + parameters = [yield_val, half_life] + grouper.num_groups = 1 + lam_val = np.log(2)/half_life + expected_counts = lam_val * (yield_val / lam_val * (1 - np.exp(-lam_val * times))) + steady_state_val = yield_val + + count_rate = grouper._get_irrad_counts(times, parameters) + assert np.allclose(count_rate, expected_counts) + assert count_rate[0] == 0.0 + assert count_rate[-1] == steady_state_val \ No newline at end of file From e24b4e6f46fb292a7b09473302eb4ddb00276b59 Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Wed, 4 Mar 2026 13:49:14 -0600 Subject: [PATCH 040/259] Add in further diagnostics and count rate plotting pre-decay --- mosden/groupfit.py | 35 +++++++++++++++++++++-------- mosden/postprocessing.py | 44 +++++++++++++++++++++++++++++++++++-- tests/unit/test_groupfit.py | 40 ++++++++++++++++++++++++++++++--- 3 files changed, 105 insertions(+), 14 deletions(-) diff --git a/mosden/groupfit.py b/mosden/groupfit.py index 9c29af8f..35a6b949 100644 --- a/mosden/groupfit.py +++ b/mosden/groupfit.py @@ -422,6 +422,31 @@ def _restructure_intermediate_yields(self, parameters: np.ndarray[float|object], actual_parameters = np.concatenate((actual_yields, half_lives)) return actual_parameters + def _get_fit_func(self) -> Callable: + """ + Get the associated function for the irradiation type + + Returns + ------- + fit_function : Callable + The function that fits the group parameter data to count rates + + Raises + ------ + NotImplementedError + If an irradiation type is not implemented + """ + if self.irrad_type == 'pulse': + fit_function = self._pulse_fit_function + elif self.irrad_type == 'saturation': + fit_function = self._saturation_fit_function + elif self.irrad_type == 'intermediate': + fit_function = self._intermediate_numerical_fit_function + else: + raise NotImplementedError(f'{self.irrad_type} not supported') + return fit_function + + def _get_modified_counts_and_times(self, times: np.ndarray[float], counts: np.ndarray[float]) -> tuple[np.ndarray[float], np.ndarray[float], np.ndarray[float], np.ndarray[float]]: """ @@ -493,15 +518,7 @@ def _nonlinear_least_squares(self, self._set_refined_fission_term(times) counts = np.asarray(count_data['counts']) count_err = np.asarray(count_data['sigma counts']) - if self.irrad_type == 'pulse': - fit_function = self._pulse_fit_function - elif self.irrad_type == 'saturation': - fit_function = self._saturation_fit_function - elif self.irrad_type == 'intermediate': - fit_function = self._intermediate_numerical_fit_function - else: - raise NotImplementedError( - f'{self.irrad_type} not supported in nonlinear least squares') + fit_function = self._get_fit_func() min_half_life = 1e-3 max_half_life = 1e3 diff --git a/mosden/postprocessing.py b/mosden/postprocessing.py index d0f8aba8..7a702e36 100644 --- a/mosden/postprocessing.py +++ b/mosden/postprocessing.py @@ -104,7 +104,9 @@ def run(self) -> None: """ self.compare_yields() - self.compare_group_to_data() + if not self.no_post_irrad: + self.compare_group_to_data() + self.compare_counts() self.MC_NLLS_analysis() return None @@ -114,6 +116,43 @@ def compare_group_to_data(self) -> None: """ self._plot_group_vs_counts() return None + + def compare_counts(self) -> None: + """ + Compare the counts from the actual data to the fit from params + """ + grouper = Grouper(self.input_path) + group_data = CSVHandler( + self.group_path, + create=False).read_vector_csv() + parameters = group_data['yield'] + group_data['half_life'] + count_data = CSVHandler(self.countrate_path).read_vector_csv() + times = np.asarray(count_data['times']) + grouper._set_refined_fission_term(times) + counts = np.asarray(count_data['counts']) + fit_func = grouper._get_fit_func() + times, counts, irrad_times, irrad_counts = grouper._get_modified_counts_and_times(times, counts) + + + irrad_fit_counts = grouper._get_irrad_counts(irrad_times, parameters) + post_irrad_fit_counts = fit_func(times, parameters) + + total_time = np.append(irrad_times, times) + total_fit_counts = np.append(irrad_fit_counts, post_irrad_fit_counts) + + plt.plot(irrad_times, irrad_counts, label='Mean, This Work', color='black', + marker='x', markersize=5, linestyle='') + plt.plot(times, counts, color='black', + marker='x', markersize=5, linestyle='', markevery=5) + plt.plot(total_time, total_fit_counts, label='Group Fit, This Work', color='blue', + linestyle='--') + plt.legend() + plt.xlabel('Time [s]') + plt.ylabel(r'Delayed Neutron Count Rate [$\# \cdot s^{-1}$]') + plt.tight_layout() + plt.savefig(f'{self.img_dir}full_countrate.png') + plt.close() + def _plot_group_vs_counts(self) -> None: """ @@ -196,7 +235,8 @@ def MC_NLLS_analysis(self) -> None: """ Analyze Monte Carlo Non-linear Least Squares results """ - self._plot_counts() + if not self.no_post_irrad: + self._plot_counts() if self.MC_samples > 2: self._plot_MC_group_params() self._get_sens_coeffs(write=True) diff --git a/tests/unit/test_groupfit.py b/tests/unit/test_groupfit.py index 1a61cab5..fe20659a 100644 --- a/tests/unit/test_groupfit.py +++ b/tests/unit/test_groupfit.py @@ -407,9 +407,43 @@ def test_irrad_fit(): grouper.num_groups = 1 lam_val = np.log(2)/half_life expected_counts = lam_val * (yield_val / lam_val * (1 - np.exp(-lam_val * times))) - steady_state_val = yield_val count_rate = grouper._get_irrad_counts(times, parameters) assert np.allclose(count_rate, expected_counts) - assert count_rate[0] == 0.0 - assert count_rate[-1] == steady_state_val \ No newline at end of file + +def test_get_mod_counts(): + input_path = './tests/unit/input/input.json' + grouper = Grouper(input_path) + irrad_times = np.arange(0, 10, 1) + post_irrad_times = np.geomspace(0.01, 7, 3) + grouper.fission_times = irrad_times + grouper.t_in = 1 + grouper.t_ex = 0 + grouper.t_net = 10 + grouper.decay_times = post_irrad_times + grouper.residual_masks = 'all' + grouper.post_irrad_only = False + grouper.no_post_irrad = True + grouper + grouper.full_fission_term = np.ones(len(irrad_times)) + yield_val = 1 + half_life = 10 + parameters = [yield_val, half_life] + grouper.num_groups = 1 + lam_val = np.log(2)/half_life + expected_counts = lam_val * (yield_val / lam_val * (1 - np.exp(-lam_val * irrad_times))) + + post_irrad_index = grouper.get_irrad_index(False) + assert post_irrad_index == 10 + + data_times = grouper._get_times_and_rates() + assert np.allclose(data_times['irrad_mask'], 1) + + cumulative_times = np.cumsum(data_times["timesteps"][:post_irrad_index]) + + times_post, counts_post, irrad_times, irrad_counts = grouper._get_modified_counts_and_times(post_irrad_times, np.ones(len(post_irrad_times)+8)) + assert np.allclose(cumulative_times, irrad_times) + assert len(irrad_times) > 0 + fit_irrad = grouper._get_irrad_counts(irrad_times, parameters) + expected_counts = lam_val * (yield_val / lam_val * (1 - np.exp(-lam_val * irrad_times))) + assert np.allclose(fit_irrad[1:], expected_counts[:-1]), "Fit error" From c38fb5ec39046975440a19fc0b66ba6e4c9253dc Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Wed, 4 Mar 2026 14:25:24 -0600 Subject: [PATCH 041/259] Fix plotting of irrad counts --- mosden/groupfit.py | 1 - mosden/postprocessing.py | 10 +++++----- 2 files changed, 5 insertions(+), 6 deletions(-) diff --git a/mosden/groupfit.py b/mosden/groupfit.py index 35a6b949..f9e6a420 100644 --- a/mosden/groupfit.py +++ b/mosden/groupfit.py @@ -155,7 +155,6 @@ def _get_irrad_counts(self, counts : np.ndarray[float|object] Array of counts for each time point (can be float or ufloat) """ - parameters = self._restructure_intermediate_yields(parameters) yields = parameters[:self.num_groups] half_lives = parameters[self.num_groups:] diff --git a/mosden/postprocessing.py b/mosden/postprocessing.py index 7a702e36..ce074df9 100644 --- a/mosden/postprocessing.py +++ b/mosden/postprocessing.py @@ -125,16 +125,16 @@ def compare_counts(self) -> None: group_data = CSVHandler( self.group_path, create=False).read_vector_csv() - parameters = group_data['yield'] + group_data['half_life'] count_data = CSVHandler(self.countrate_path).read_vector_csv() times = np.asarray(count_data['times']) - grouper._set_refined_fission_term(times) counts = np.asarray(count_data['counts']) + grouper._set_refined_fission_term(times) + parameters = group_data['yield'] + group_data['half_life'] + parameters = grouper._restructure_intermediate_yields(parameters, False) fit_func = grouper._get_fit_func() - times, counts, irrad_times, irrad_counts = grouper._get_modified_counts_and_times(times, counts) - - + times, counts, irrad_times, irrad_counts = grouper._get_modified_counts_and_times(times, counts) irrad_fit_counts = grouper._get_irrad_counts(irrad_times, parameters) + post_irrad_fit_counts = fit_func(times, parameters) total_time = np.append(irrad_times, times) From 3ae429301a7b15ca8530397fb3ca6b3de9d5e833 Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Thu, 5 Mar 2026 09:34:00 -0600 Subject: [PATCH 042/259] Clean up count rate printing and add residual print --- mosden/groupfit.py | 2 ++ mosden/postprocessing.py | 27 ++++++++++++++++++++++----- 2 files changed, 24 insertions(+), 5 deletions(-) diff --git a/mosden/groupfit.py b/mosden/groupfit.py index f9e6a420..f9cace39 100644 --- a/mosden/groupfit.py +++ b/mosden/groupfit.py @@ -589,6 +589,8 @@ def _nonlinear_least_squares(self, self.logger.info(f'{np.diag(cov) = }') sigma = np.sqrt(np.diag(cov)) self.logger.info(f'{sigma = }') + residual = self._residual_function(result.x, times, counts, count_err, irrad_counts, irrad_times, fit_function) + self.logger.info(f'{residual = }') self.logger.info(result) sampled_params: list[float] = list() tracked_counts: list[float] = list() diff --git a/mosden/postprocessing.py b/mosden/postprocessing.py index ce074df9..9579749c 100644 --- a/mosden/postprocessing.py +++ b/mosden/postprocessing.py @@ -104,9 +104,9 @@ def run(self) -> None: """ self.compare_yields() + self.compare_counts() if not self.no_post_irrad: self.compare_group_to_data() - self.compare_counts() self.MC_NLLS_analysis() return None @@ -128,6 +128,7 @@ def compare_counts(self) -> None: count_data = CSVHandler(self.countrate_path).read_vector_csv() times = np.asarray(count_data['times']) counts = np.asarray(count_data['counts']) + count_errs = np.asarray(count_data['sigma counts']) grouper._set_refined_fission_term(times) parameters = group_data['yield'] + group_data['half_life'] parameters = grouper._restructure_intermediate_yields(parameters, False) @@ -136,16 +137,32 @@ def compare_counts(self) -> None: irrad_fit_counts = grouper._get_irrad_counts(irrad_times, parameters) post_irrad_fit_counts = fit_func(times, parameters) + if len(irrad_times) > 0 and not self.post_irrad_only: + irrad_times = np.append([0], irrad_times) + irrad_counts = np.append([0], irrad_counts) + irrad_fit_counts = np.append([0], irrad_fit_counts) + + if not self.no_post_irrad and not self.post_irrad_only: + times = np.asarray(times) + irrad_times[-1] total_time = np.append(irrad_times, times) total_fit_counts = np.append(irrad_fit_counts, post_irrad_fit_counts) - plt.plot(irrad_times, irrad_counts, label='Mean, This Work', color='black', - marker='x', markersize=5, linestyle='') - plt.plot(times, counts, color='black', - marker='x', markersize=5, linestyle='', markevery=5) + markevery_irrad = 1 + if not self.no_post_irrad: + markevery_irrad = 5 + + plt.errorbar(irrad_times, irrad_counts, count_errs[:len(irrad_times)], label='Mean, This Work', color='black', marker='x', markersize=5, markevery=markevery_irrad, linestyle='') + plt.errorbar(times, counts, count_errs[len(irrad_times):], color='black', marker='x', markersize=5, linestyle='', markevery=5) + plt.plot(total_time, total_fit_counts, label='Group Fit, This Work', color='blue', linestyle='--') + + if self.no_post_irrad: + plt.xscale('linear') + else: + plt.xscale('log') + plt.legend() plt.xlabel('Time [s]') plt.ylabel(r'Delayed Neutron Count Rate [$\# \cdot s^{-1}$]') From 2263fedcd2debd9a8b8451ab11466d2d868f0123 Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Thu, 5 Mar 2026 09:54:43 -0600 Subject: [PATCH 043/259] Display residual norm --- mosden/groupfit.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/mosden/groupfit.py b/mosden/groupfit.py index f9cace39..d9204ad8 100644 --- a/mosden/groupfit.py +++ b/mosden/groupfit.py @@ -589,7 +589,7 @@ def _nonlinear_least_squares(self, self.logger.info(f'{np.diag(cov) = }') sigma = np.sqrt(np.diag(cov)) self.logger.info(f'{sigma = }') - residual = self._residual_function(result.x, times, counts, count_err, irrad_counts, irrad_times, fit_function) + residual = np.linalg.norm(self._residual_function(result.x, times, counts, count_err, irrad_counts, irrad_times, fit_function)) self.logger.info(f'{residual = }') self.logger.info(result) sampled_params: list[float] = list() From f7b03c90715767e421b1cf203c0f59099620da5c Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Thu, 5 Mar 2026 09:58:59 -0600 Subject: [PATCH 044/259] Limit compare counts to only with irrad --- mosden/postprocessing.py | 3 ++- 1 file changed, 2 insertions(+), 1 deletion(-) diff --git a/mosden/postprocessing.py b/mosden/postprocessing.py index 9579749c..2035d1d7 100644 --- a/mosden/postprocessing.py +++ b/mosden/postprocessing.py @@ -104,7 +104,8 @@ def run(self) -> None: """ self.compare_yields() - self.compare_counts() + if not self.post_irrad_only: + self.compare_counts() if not self.no_post_irrad: self.compare_group_to_data() self.MC_NLLS_analysis() From 0c19c6cd0d77ac656859f0cb57b3970e65ca083e Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Thu, 5 Mar 2026 10:47:31 -0600 Subject: [PATCH 045/259] Add more data for later timesteps --- .../t_net_analysis/data/intermediate_5000_all.csv | 7 +++++++ .../t_net_analysis/data/intermediate_5000_post.csv | 7 +++++++ 2 files changed, 14 insertions(+) create mode 100644 examples/phd_results/t_net_analysis/data/intermediate_5000_all.csv create mode 100644 examples/phd_results/t_net_analysis/data/intermediate_5000_post.csv diff --git a/examples/phd_results/t_net_analysis/data/intermediate_5000_all.csv b/examples/phd_results/t_net_analysis/data/intermediate_5000_all.csv new file mode 100644 index 00000000..b233f028 --- /dev/null +++ b/examples/phd_results/t_net_analysis/data/intermediate_5000_all.csv @@ -0,0 +1,7 @@ +yield,sigma yield,half_life,sigma half_life +0.000576705409255332,0.0,55.48718370069069,0.0 +0.0030013527252656254,0.0,22.998508311128898,0.0 +0.0019498479794932482,0.0,8.242332968716125,0.0 +0.007006733877122229,0.0,2.576751114981142,0.0 +0.004402260798666613,0.0,0.6804870920413328,0.0 +0.0017534807653463748,0.0,0.1281644942069835,0.0 diff --git a/examples/phd_results/t_net_analysis/data/intermediate_5000_post.csv b/examples/phd_results/t_net_analysis/data/intermediate_5000_post.csv new file mode 100644 index 00000000..927484eb --- /dev/null +++ b/examples/phd_results/t_net_analysis/data/intermediate_5000_post.csv @@ -0,0 +1,7 @@ +yield,sigma yield,half_life,sigma half_life +0.0005762572713094761,0.0,55.49396612096345,0.0 +0.0029881539027100724,0.0,23.031084684305146,0.0 +0.0018867891489398178,0.0,8.433996420500357,0.0 +0.006924896479208246,0.0,2.632369563619486,0.0 +0.004429401522670126,0.0,0.7161423493452548,0.0 +0.0018618725758255095,0.0,0.13930288167466812,0.0 From 1f0f5e56d6c115bd18a69008d16594ce8f0f78e4 Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Thu, 5 Mar 2026 11:09:51 -0600 Subject: [PATCH 046/259] Move data and add new dt analysis --- .../data_dt_5s_irrad/intermediate_0.05_all.csv | 7 +++++++ .../data_dt_5s_irrad/intermediate_0.05_post.csv | 7 +++++++ .../intermediate_0.5_all.csv} | 0 .../intermediate_0.5_post.csv} | 0 .../{data => data_t_net}/intermediate_0.001_all.csv | 0 .../{data => data_t_net}/intermediate_0.001_post.csv | 0 .../{data => data_t_net}/intermediate_0.01_all.csv | 0 .../{data => data_t_net}/intermediate_0.01_post.csv | 0 .../{data => data_t_net}/intermediate_0.1_all.csv | 0 .../{data => data_t_net}/intermediate_0.1_post.csv | 0 .../{data => data_t_net}/intermediate_10_all.csv | 0 .../{data => data_t_net}/intermediate_10_post.csv | 0 .../{data => data_t_net}/intermediate_120_all.csv | 0 .../{data => data_t_net}/intermediate_120_post.csv | 0 .../{data => data_t_net}/intermediate_1_all.csv | 0 .../{data => data_t_net}/intermediate_1_post.csv | 0 .../{data => data_t_net}/intermediate_2_all.csv | 0 .../{data => data_t_net}/intermediate_2_post.csv | 0 .../{data => data_t_net}/intermediate_30_all.csv | 0 .../{data => data_t_net}/intermediate_30_post.csv | 0 .../{data => data_t_net}/intermediate_3_all.csv | 0 .../{data => data_t_net}/intermediate_3_post.csv | 0 .../{data => data_t_net}/intermediate_4_all.csv | 0 .../{data => data_t_net}/intermediate_4_post.csv | 0 .../{data => data_t_net}/intermediate_5000_all.csv | 0 .../{data => data_t_net}/intermediate_5000_post.csv | 0 .../t_net_analysis/data_t_net/intermediate_5_all.csv | 7 +++++++ .../t_net_analysis/data_t_net/intermediate_5_post.csv | 7 +++++++ .../{data => data_t_net}/intermediate_600_all.csv | 0 .../{data => data_t_net}/intermediate_600_post.csv | 0 .../{data => data_t_net}/pulse_0.00001_all.csv | 0 .../{data => data_t_net}/pulse_0.00001_post.csv | 0 .../{data => data_t_net}/saturation_1200_all.csv | 0 .../{data => data_t_net}/saturation_1200_post.csv | 0 34 files changed, 28 insertions(+) create mode 100644 examples/phd_results/t_net_analysis/data_dt_5s_irrad/intermediate_0.05_all.csv create mode 100644 examples/phd_results/t_net_analysis/data_dt_5s_irrad/intermediate_0.05_post.csv rename examples/phd_results/t_net_analysis/{data/intermediate_5_all.csv => data_dt_5s_irrad/intermediate_0.5_all.csv} (100%) rename examples/phd_results/t_net_analysis/{data/intermediate_5_post.csv => data_dt_5s_irrad/intermediate_0.5_post.csv} (100%) rename examples/phd_results/t_net_analysis/{data => data_t_net}/intermediate_0.001_all.csv (100%) rename examples/phd_results/t_net_analysis/{data => data_t_net}/intermediate_0.001_post.csv (100%) rename examples/phd_results/t_net_analysis/{data => data_t_net}/intermediate_0.01_all.csv (100%) rename examples/phd_results/t_net_analysis/{data => data_t_net}/intermediate_0.01_post.csv (100%) rename examples/phd_results/t_net_analysis/{data => data_t_net}/intermediate_0.1_all.csv (100%) rename examples/phd_results/t_net_analysis/{data => data_t_net}/intermediate_0.1_post.csv (100%) rename examples/phd_results/t_net_analysis/{data => data_t_net}/intermediate_10_all.csv (100%) rename examples/phd_results/t_net_analysis/{data => data_t_net}/intermediate_10_post.csv (100%) rename examples/phd_results/t_net_analysis/{data => data_t_net}/intermediate_120_all.csv (100%) rename examples/phd_results/t_net_analysis/{data => data_t_net}/intermediate_120_post.csv (100%) rename examples/phd_results/t_net_analysis/{data => data_t_net}/intermediate_1_all.csv (100%) rename examples/phd_results/t_net_analysis/{data => data_t_net}/intermediate_1_post.csv (100%) rename examples/phd_results/t_net_analysis/{data => data_t_net}/intermediate_2_all.csv (100%) rename examples/phd_results/t_net_analysis/{data => data_t_net}/intermediate_2_post.csv (100%) rename examples/phd_results/t_net_analysis/{data => data_t_net}/intermediate_30_all.csv (100%) rename examples/phd_results/t_net_analysis/{data => data_t_net}/intermediate_30_post.csv (100%) rename examples/phd_results/t_net_analysis/{data => data_t_net}/intermediate_3_all.csv (100%) rename examples/phd_results/t_net_analysis/{data => data_t_net}/intermediate_3_post.csv (100%) rename examples/phd_results/t_net_analysis/{data => data_t_net}/intermediate_4_all.csv (100%) rename examples/phd_results/t_net_analysis/{data => data_t_net}/intermediate_4_post.csv (100%) rename examples/phd_results/t_net_analysis/{data => data_t_net}/intermediate_5000_all.csv (100%) rename examples/phd_results/t_net_analysis/{data => data_t_net}/intermediate_5000_post.csv (100%) create mode 100644 examples/phd_results/t_net_analysis/data_t_net/intermediate_5_all.csv create mode 100644 examples/phd_results/t_net_analysis/data_t_net/intermediate_5_post.csv rename examples/phd_results/t_net_analysis/{data => data_t_net}/intermediate_600_all.csv (100%) rename examples/phd_results/t_net_analysis/{data => data_t_net}/intermediate_600_post.csv (100%) rename examples/phd_results/t_net_analysis/{data => data_t_net}/pulse_0.00001_all.csv (100%) rename examples/phd_results/t_net_analysis/{data => data_t_net}/pulse_0.00001_post.csv (100%) rename examples/phd_results/t_net_analysis/{data => data_t_net}/saturation_1200_all.csv (100%) rename examples/phd_results/t_net_analysis/{data => data_t_net}/saturation_1200_post.csv (100%) diff --git a/examples/phd_results/t_net_analysis/data_dt_5s_irrad/intermediate_0.05_all.csv b/examples/phd_results/t_net_analysis/data_dt_5s_irrad/intermediate_0.05_all.csv new file mode 100644 index 00000000..d20b7a8d --- /dev/null +++ b/examples/phd_results/t_net_analysis/data_dt_5s_irrad/intermediate_0.05_all.csv @@ -0,0 +1,7 @@ +yield,sigma yield,half_life,sigma half_life +0.0006065600042876593,0.0,54.95335989582147,0.0 +0.0033086632440693857,0.0,21.94229132529539,0.0 +0.00383224697621714,0.0,5.088042543099311,0.0 +0.0070137738811966305,0.0,1.6983594001638218,0.0 +0.003089808491644879,0.0,0.3344261832340821,0.0 +0.0010397161906897053,0.0,0.020852576574656057,0.0 diff --git a/examples/phd_results/t_net_analysis/data_dt_5s_irrad/intermediate_0.05_post.csv b/examples/phd_results/t_net_analysis/data_dt_5s_irrad/intermediate_0.05_post.csv new file mode 100644 index 00000000..aae639e9 --- /dev/null +++ b/examples/phd_results/t_net_analysis/data_dt_5s_irrad/intermediate_0.05_post.csv @@ -0,0 +1,7 @@ +yield,sigma yield,half_life,sigma half_life +0.0005904156776584032,0.0,55.231422363828585,0.0 +0.003137137764313036,0.0,22.525617261725607,0.0 +0.002240262658999735,0.0,6.9794347163178,0.0 +0.006544054694288273,0.0,2.462834508422723,0.0 +0.004127920659416374,0.0,0.7361599998014058,0.0 +0.002015377041911152,0.0,0.1516341827883638,0.0 diff --git a/examples/phd_results/t_net_analysis/data/intermediate_5_all.csv b/examples/phd_results/t_net_analysis/data_dt_5s_irrad/intermediate_0.5_all.csv similarity index 100% rename from examples/phd_results/t_net_analysis/data/intermediate_5_all.csv rename to examples/phd_results/t_net_analysis/data_dt_5s_irrad/intermediate_0.5_all.csv diff --git a/examples/phd_results/t_net_analysis/data/intermediate_5_post.csv b/examples/phd_results/t_net_analysis/data_dt_5s_irrad/intermediate_0.5_post.csv similarity index 100% rename from examples/phd_results/t_net_analysis/data/intermediate_5_post.csv rename to examples/phd_results/t_net_analysis/data_dt_5s_irrad/intermediate_0.5_post.csv diff --git a/examples/phd_results/t_net_analysis/data/intermediate_0.001_all.csv b/examples/phd_results/t_net_analysis/data_t_net/intermediate_0.001_all.csv similarity index 100% rename from examples/phd_results/t_net_analysis/data/intermediate_0.001_all.csv rename to examples/phd_results/t_net_analysis/data_t_net/intermediate_0.001_all.csv diff --git a/examples/phd_results/t_net_analysis/data/intermediate_0.001_post.csv b/examples/phd_results/t_net_analysis/data_t_net/intermediate_0.001_post.csv similarity index 100% rename from examples/phd_results/t_net_analysis/data/intermediate_0.001_post.csv rename to examples/phd_results/t_net_analysis/data_t_net/intermediate_0.001_post.csv diff --git a/examples/phd_results/t_net_analysis/data/intermediate_0.01_all.csv b/examples/phd_results/t_net_analysis/data_t_net/intermediate_0.01_all.csv similarity index 100% rename from examples/phd_results/t_net_analysis/data/intermediate_0.01_all.csv rename to examples/phd_results/t_net_analysis/data_t_net/intermediate_0.01_all.csv diff --git a/examples/phd_results/t_net_analysis/data/intermediate_0.01_post.csv b/examples/phd_results/t_net_analysis/data_t_net/intermediate_0.01_post.csv similarity index 100% rename from examples/phd_results/t_net_analysis/data/intermediate_0.01_post.csv rename to examples/phd_results/t_net_analysis/data_t_net/intermediate_0.01_post.csv diff --git a/examples/phd_results/t_net_analysis/data/intermediate_0.1_all.csv b/examples/phd_results/t_net_analysis/data_t_net/intermediate_0.1_all.csv similarity index 100% rename from examples/phd_results/t_net_analysis/data/intermediate_0.1_all.csv rename to examples/phd_results/t_net_analysis/data_t_net/intermediate_0.1_all.csv diff --git a/examples/phd_results/t_net_analysis/data/intermediate_0.1_post.csv b/examples/phd_results/t_net_analysis/data_t_net/intermediate_0.1_post.csv similarity index 100% rename from examples/phd_results/t_net_analysis/data/intermediate_0.1_post.csv rename to examples/phd_results/t_net_analysis/data_t_net/intermediate_0.1_post.csv diff --git a/examples/phd_results/t_net_analysis/data/intermediate_10_all.csv b/examples/phd_results/t_net_analysis/data_t_net/intermediate_10_all.csv similarity index 100% rename from examples/phd_results/t_net_analysis/data/intermediate_10_all.csv rename to examples/phd_results/t_net_analysis/data_t_net/intermediate_10_all.csv diff --git a/examples/phd_results/t_net_analysis/data/intermediate_10_post.csv b/examples/phd_results/t_net_analysis/data_t_net/intermediate_10_post.csv similarity index 100% rename from examples/phd_results/t_net_analysis/data/intermediate_10_post.csv rename to examples/phd_results/t_net_analysis/data_t_net/intermediate_10_post.csv diff --git a/examples/phd_results/t_net_analysis/data/intermediate_120_all.csv b/examples/phd_results/t_net_analysis/data_t_net/intermediate_120_all.csv similarity index 100% rename from examples/phd_results/t_net_analysis/data/intermediate_120_all.csv rename to examples/phd_results/t_net_analysis/data_t_net/intermediate_120_all.csv diff --git a/examples/phd_results/t_net_analysis/data/intermediate_120_post.csv b/examples/phd_results/t_net_analysis/data_t_net/intermediate_120_post.csv similarity index 100% rename from examples/phd_results/t_net_analysis/data/intermediate_120_post.csv rename to examples/phd_results/t_net_analysis/data_t_net/intermediate_120_post.csv diff --git a/examples/phd_results/t_net_analysis/data/intermediate_1_all.csv b/examples/phd_results/t_net_analysis/data_t_net/intermediate_1_all.csv similarity index 100% rename from examples/phd_results/t_net_analysis/data/intermediate_1_all.csv rename to examples/phd_results/t_net_analysis/data_t_net/intermediate_1_all.csv diff --git a/examples/phd_results/t_net_analysis/data/intermediate_1_post.csv b/examples/phd_results/t_net_analysis/data_t_net/intermediate_1_post.csv similarity index 100% rename from examples/phd_results/t_net_analysis/data/intermediate_1_post.csv rename to examples/phd_results/t_net_analysis/data_t_net/intermediate_1_post.csv diff --git a/examples/phd_results/t_net_analysis/data/intermediate_2_all.csv b/examples/phd_results/t_net_analysis/data_t_net/intermediate_2_all.csv similarity index 100% rename from examples/phd_results/t_net_analysis/data/intermediate_2_all.csv rename to examples/phd_results/t_net_analysis/data_t_net/intermediate_2_all.csv diff --git a/examples/phd_results/t_net_analysis/data/intermediate_2_post.csv b/examples/phd_results/t_net_analysis/data_t_net/intermediate_2_post.csv similarity index 100% rename from examples/phd_results/t_net_analysis/data/intermediate_2_post.csv rename to examples/phd_results/t_net_analysis/data_t_net/intermediate_2_post.csv diff --git a/examples/phd_results/t_net_analysis/data/intermediate_30_all.csv b/examples/phd_results/t_net_analysis/data_t_net/intermediate_30_all.csv similarity index 100% rename from examples/phd_results/t_net_analysis/data/intermediate_30_all.csv rename to examples/phd_results/t_net_analysis/data_t_net/intermediate_30_all.csv diff --git a/examples/phd_results/t_net_analysis/data/intermediate_30_post.csv b/examples/phd_results/t_net_analysis/data_t_net/intermediate_30_post.csv similarity index 100% rename from examples/phd_results/t_net_analysis/data/intermediate_30_post.csv rename to examples/phd_results/t_net_analysis/data_t_net/intermediate_30_post.csv diff --git a/examples/phd_results/t_net_analysis/data/intermediate_3_all.csv b/examples/phd_results/t_net_analysis/data_t_net/intermediate_3_all.csv similarity index 100% rename from examples/phd_results/t_net_analysis/data/intermediate_3_all.csv rename to examples/phd_results/t_net_analysis/data_t_net/intermediate_3_all.csv diff --git a/examples/phd_results/t_net_analysis/data/intermediate_3_post.csv b/examples/phd_results/t_net_analysis/data_t_net/intermediate_3_post.csv similarity index 100% rename from examples/phd_results/t_net_analysis/data/intermediate_3_post.csv rename to examples/phd_results/t_net_analysis/data_t_net/intermediate_3_post.csv diff --git a/examples/phd_results/t_net_analysis/data/intermediate_4_all.csv b/examples/phd_results/t_net_analysis/data_t_net/intermediate_4_all.csv similarity index 100% rename from examples/phd_results/t_net_analysis/data/intermediate_4_all.csv rename to examples/phd_results/t_net_analysis/data_t_net/intermediate_4_all.csv diff --git a/examples/phd_results/t_net_analysis/data/intermediate_4_post.csv b/examples/phd_results/t_net_analysis/data_t_net/intermediate_4_post.csv similarity index 100% rename from examples/phd_results/t_net_analysis/data/intermediate_4_post.csv rename to examples/phd_results/t_net_analysis/data_t_net/intermediate_4_post.csv diff --git a/examples/phd_results/t_net_analysis/data/intermediate_5000_all.csv b/examples/phd_results/t_net_analysis/data_t_net/intermediate_5000_all.csv similarity index 100% rename from examples/phd_results/t_net_analysis/data/intermediate_5000_all.csv rename to examples/phd_results/t_net_analysis/data_t_net/intermediate_5000_all.csv diff --git a/examples/phd_results/t_net_analysis/data/intermediate_5000_post.csv b/examples/phd_results/t_net_analysis/data_t_net/intermediate_5000_post.csv similarity index 100% rename from examples/phd_results/t_net_analysis/data/intermediate_5000_post.csv rename to examples/phd_results/t_net_analysis/data_t_net/intermediate_5000_post.csv diff --git a/examples/phd_results/t_net_analysis/data_t_net/intermediate_5_all.csv b/examples/phd_results/t_net_analysis/data_t_net/intermediate_5_all.csv new file mode 100644 index 00000000..d20b7a8d --- /dev/null +++ b/examples/phd_results/t_net_analysis/data_t_net/intermediate_5_all.csv @@ -0,0 +1,7 @@ +yield,sigma yield,half_life,sigma half_life +0.0006065600042876593,0.0,54.95335989582147,0.0 +0.0033086632440693857,0.0,21.94229132529539,0.0 +0.00383224697621714,0.0,5.088042543099311,0.0 +0.0070137738811966305,0.0,1.6983594001638218,0.0 +0.003089808491644879,0.0,0.3344261832340821,0.0 +0.0010397161906897053,0.0,0.020852576574656057,0.0 diff --git a/examples/phd_results/t_net_analysis/data_t_net/intermediate_5_post.csv b/examples/phd_results/t_net_analysis/data_t_net/intermediate_5_post.csv new file mode 100644 index 00000000..aae639e9 --- /dev/null +++ b/examples/phd_results/t_net_analysis/data_t_net/intermediate_5_post.csv @@ -0,0 +1,7 @@ +yield,sigma yield,half_life,sigma half_life +0.0005904156776584032,0.0,55.231422363828585,0.0 +0.003137137764313036,0.0,22.525617261725607,0.0 +0.002240262658999735,0.0,6.9794347163178,0.0 +0.006544054694288273,0.0,2.462834508422723,0.0 +0.004127920659416374,0.0,0.7361599998014058,0.0 +0.002015377041911152,0.0,0.1516341827883638,0.0 diff --git a/examples/phd_results/t_net_analysis/data/intermediate_600_all.csv b/examples/phd_results/t_net_analysis/data_t_net/intermediate_600_all.csv similarity index 100% rename from examples/phd_results/t_net_analysis/data/intermediate_600_all.csv rename to examples/phd_results/t_net_analysis/data_t_net/intermediate_600_all.csv diff --git a/examples/phd_results/t_net_analysis/data/intermediate_600_post.csv b/examples/phd_results/t_net_analysis/data_t_net/intermediate_600_post.csv similarity index 100% rename from examples/phd_results/t_net_analysis/data/intermediate_600_post.csv rename to examples/phd_results/t_net_analysis/data_t_net/intermediate_600_post.csv diff --git a/examples/phd_results/t_net_analysis/data/pulse_0.00001_all.csv b/examples/phd_results/t_net_analysis/data_t_net/pulse_0.00001_all.csv similarity index 100% rename from examples/phd_results/t_net_analysis/data/pulse_0.00001_all.csv rename to examples/phd_results/t_net_analysis/data_t_net/pulse_0.00001_all.csv diff --git a/examples/phd_results/t_net_analysis/data/pulse_0.00001_post.csv b/examples/phd_results/t_net_analysis/data_t_net/pulse_0.00001_post.csv similarity index 100% rename from examples/phd_results/t_net_analysis/data/pulse_0.00001_post.csv rename to examples/phd_results/t_net_analysis/data_t_net/pulse_0.00001_post.csv diff --git a/examples/phd_results/t_net_analysis/data/saturation_1200_all.csv b/examples/phd_results/t_net_analysis/data_t_net/saturation_1200_all.csv similarity index 100% rename from examples/phd_results/t_net_analysis/data/saturation_1200_all.csv rename to examples/phd_results/t_net_analysis/data_t_net/saturation_1200_all.csv diff --git a/examples/phd_results/t_net_analysis/data/saturation_1200_post.csv b/examples/phd_results/t_net_analysis/data_t_net/saturation_1200_post.csv similarity index 100% rename from examples/phd_results/t_net_analysis/data/saturation_1200_post.csv rename to examples/phd_results/t_net_analysis/data_t_net/saturation_1200_post.csv From 4ffa0c9be46ec3caea0b94ab09c84efab3c022e1 Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Thu, 5 Mar 2026 11:16:58 -0600 Subject: [PATCH 047/259] Change data location and add dt analysis --- examples/phd_results/t_net_analysis/analysis.py | 12 ++++++++---- .../intermediate_0.05_all.csv | 0 .../intermediate_0.05_post.csv | 0 .../intermediate_0.5_all.csv | 0 .../intermediate_0.5_post.csv | 0 .../intermediate_0.001_all.csv | 0 .../intermediate_0.001_post.csv | 0 .../intermediate_0.01_all.csv | 0 .../intermediate_0.01_post.csv | 0 .../{data_t_net => dataNet}/intermediate_0.1_all.csv | 0 .../intermediate_0.1_post.csv | 0 .../t_net_analysis/dataNet/intermediate_10_all.csv | 7 +++++++ .../t_net_analysis/dataNet/intermediate_10_post.csv | 7 +++++++ .../{data_t_net => dataNet}/intermediate_120_all.csv | 0 .../intermediate_120_post.csv | 0 .../{data_t_net => dataNet}/intermediate_1_all.csv | 0 .../{data_t_net => dataNet}/intermediate_1_post.csv | 0 .../{data_t_net => dataNet}/intermediate_2_all.csv | 0 .../{data_t_net => dataNet}/intermediate_2_post.csv | 0 .../{data_t_net => dataNet}/intermediate_30_all.csv | 0 .../{data_t_net => dataNet}/intermediate_30_post.csv | 0 .../{data_t_net => dataNet}/intermediate_3_all.csv | 0 .../{data_t_net => dataNet}/intermediate_3_post.csv | 0 .../{data_t_net => dataNet}/intermediate_4_all.csv | 0 .../{data_t_net => dataNet}/intermediate_4_post.csv | 0 .../intermediate_5000_all.csv | 0 .../intermediate_5000_post.csv | 0 .../{data_t_net => dataNet}/intermediate_5_all.csv | 0 .../{data_t_net => dataNet}/intermediate_5_post.csv | 0 .../{data_t_net => dataNet}/intermediate_600_all.csv | 0 .../intermediate_600_post.csv | 0 .../{data_t_net => dataNet}/pulse_0.00001_all.csv | 0 .../{data_t_net => dataNet}/pulse_0.00001_post.csv | 0 .../{data_t_net => dataNet}/saturation_1200_all.csv | 0 .../{data_t_net => dataNet}/saturation_1200_post.csv | 0 .../data_t_net/intermediate_10_all.csv | 7 ------- .../data_t_net/intermediate_10_post.csv | 7 ------- 37 files changed, 22 insertions(+), 18 deletions(-) rename examples/phd_results/t_net_analysis/{data_dt_5s_irrad => dataDt5s}/intermediate_0.05_all.csv (100%) rename examples/phd_results/t_net_analysis/{data_dt_5s_irrad => dataDt5s}/intermediate_0.05_post.csv (100%) rename examples/phd_results/t_net_analysis/{data_dt_5s_irrad => dataDt5s}/intermediate_0.5_all.csv (100%) rename examples/phd_results/t_net_analysis/{data_dt_5s_irrad => dataDt5s}/intermediate_0.5_post.csv (100%) rename examples/phd_results/t_net_analysis/{data_t_net => dataNet}/intermediate_0.001_all.csv (100%) rename examples/phd_results/t_net_analysis/{data_t_net => dataNet}/intermediate_0.001_post.csv (100%) rename examples/phd_results/t_net_analysis/{data_t_net => dataNet}/intermediate_0.01_all.csv (100%) rename examples/phd_results/t_net_analysis/{data_t_net => dataNet}/intermediate_0.01_post.csv (100%) rename examples/phd_results/t_net_analysis/{data_t_net => dataNet}/intermediate_0.1_all.csv (100%) rename examples/phd_results/t_net_analysis/{data_t_net => dataNet}/intermediate_0.1_post.csv (100%) create mode 100644 examples/phd_results/t_net_analysis/dataNet/intermediate_10_all.csv create mode 100644 examples/phd_results/t_net_analysis/dataNet/intermediate_10_post.csv rename examples/phd_results/t_net_analysis/{data_t_net => dataNet}/intermediate_120_all.csv (100%) rename examples/phd_results/t_net_analysis/{data_t_net => dataNet}/intermediate_120_post.csv (100%) rename examples/phd_results/t_net_analysis/{data_t_net => dataNet}/intermediate_1_all.csv (100%) rename examples/phd_results/t_net_analysis/{data_t_net => dataNet}/intermediate_1_post.csv (100%) rename examples/phd_results/t_net_analysis/{data_t_net => dataNet}/intermediate_2_all.csv (100%) rename examples/phd_results/t_net_analysis/{data_t_net => dataNet}/intermediate_2_post.csv (100%) rename examples/phd_results/t_net_analysis/{data_t_net => dataNet}/intermediate_30_all.csv (100%) rename examples/phd_results/t_net_analysis/{data_t_net => dataNet}/intermediate_30_post.csv (100%) rename examples/phd_results/t_net_analysis/{data_t_net => dataNet}/intermediate_3_all.csv (100%) rename examples/phd_results/t_net_analysis/{data_t_net => dataNet}/intermediate_3_post.csv (100%) rename examples/phd_results/t_net_analysis/{data_t_net => dataNet}/intermediate_4_all.csv (100%) rename examples/phd_results/t_net_analysis/{data_t_net => dataNet}/intermediate_4_post.csv (100%) rename examples/phd_results/t_net_analysis/{data_t_net => dataNet}/intermediate_5000_all.csv (100%) rename examples/phd_results/t_net_analysis/{data_t_net => dataNet}/intermediate_5000_post.csv (100%) rename examples/phd_results/t_net_analysis/{data_t_net => dataNet}/intermediate_5_all.csv (100%) rename examples/phd_results/t_net_analysis/{data_t_net => dataNet}/intermediate_5_post.csv (100%) rename examples/phd_results/t_net_analysis/{data_t_net => dataNet}/intermediate_600_all.csv (100%) rename examples/phd_results/t_net_analysis/{data_t_net => dataNet}/intermediate_600_post.csv (100%) rename examples/phd_results/t_net_analysis/{data_t_net => dataNet}/pulse_0.00001_all.csv (100%) rename examples/phd_results/t_net_analysis/{data_t_net => dataNet}/pulse_0.00001_post.csv (100%) rename examples/phd_results/t_net_analysis/{data_t_net => dataNet}/saturation_1200_all.csv (100%) rename examples/phd_results/t_net_analysis/{data_t_net => dataNet}/saturation_1200_post.csv (100%) delete mode 100644 examples/phd_results/t_net_analysis/data_t_net/intermediate_10_all.csv delete mode 100644 examples/phd_results/t_net_analysis/data_t_net/intermediate_10_post.csv diff --git a/examples/phd_results/t_net_analysis/analysis.py b/examples/phd_results/t_net_analysis/analysis.py index 9d373f51..a3ae6064 100644 --- a/examples/phd_results/t_net_analysis/analysis.py +++ b/examples/phd_results/t_net_analysis/analysis.py @@ -5,12 +5,11 @@ import os plt.style.use('mosden.plotting') -def plot_data(data_vals, namemod=''): +def plot_data(data_vals, namemod='', xlab=r'Irradiation Time $[s]$'): formatted_data = defaultdict(list) formatted_data['yields'] = defaultdict(list) formatted_data['hls'] = defaultdict(list) formatted_data["xs"] = [] - xlab = 'Irradiation Time [s]' xscale = 'log' total_yields = [] @@ -74,7 +73,7 @@ def plot_data(data_vals, namemod=''): plt.savefig(f'stack_yields{namemod}.png') plt.close() -def build_data_dict(data_path=r'./data/'): +def build_data_dict(data_path=r'./dataNet/'): def helper(pathmod): files = glob.glob(os.path.join(data_path, f"*{pathmod}.csv")) data = {} @@ -96,4 +95,9 @@ def helper(pathmod): if __name__ == '__main__': post_data, all_data = build_data_dict() plot_data(post_data, '_post') - plot_data(all_data, '_all') \ No newline at end of file + plot_data(all_data, '_all') + + post_data, all_data = build_data_dict('./dataDt5s/') + xlab = r'Irradiation Time Step $[s]$' + plot_data(post_data, '_post_dt', xlab) + plot_data(all_data, '_all_dt', xlab) \ No newline at end of file diff --git a/examples/phd_results/t_net_analysis/data_dt_5s_irrad/intermediate_0.05_all.csv b/examples/phd_results/t_net_analysis/dataDt5s/intermediate_0.05_all.csv similarity index 100% rename from examples/phd_results/t_net_analysis/data_dt_5s_irrad/intermediate_0.05_all.csv rename to examples/phd_results/t_net_analysis/dataDt5s/intermediate_0.05_all.csv diff --git a/examples/phd_results/t_net_analysis/data_dt_5s_irrad/intermediate_0.05_post.csv b/examples/phd_results/t_net_analysis/dataDt5s/intermediate_0.05_post.csv similarity index 100% rename from examples/phd_results/t_net_analysis/data_dt_5s_irrad/intermediate_0.05_post.csv rename to examples/phd_results/t_net_analysis/dataDt5s/intermediate_0.05_post.csv diff --git a/examples/phd_results/t_net_analysis/data_dt_5s_irrad/intermediate_0.5_all.csv b/examples/phd_results/t_net_analysis/dataDt5s/intermediate_0.5_all.csv similarity index 100% rename from examples/phd_results/t_net_analysis/data_dt_5s_irrad/intermediate_0.5_all.csv rename to examples/phd_results/t_net_analysis/dataDt5s/intermediate_0.5_all.csv diff --git a/examples/phd_results/t_net_analysis/data_dt_5s_irrad/intermediate_0.5_post.csv b/examples/phd_results/t_net_analysis/dataDt5s/intermediate_0.5_post.csv similarity index 100% rename from examples/phd_results/t_net_analysis/data_dt_5s_irrad/intermediate_0.5_post.csv rename to examples/phd_results/t_net_analysis/dataDt5s/intermediate_0.5_post.csv diff --git a/examples/phd_results/t_net_analysis/data_t_net/intermediate_0.001_all.csv b/examples/phd_results/t_net_analysis/dataNet/intermediate_0.001_all.csv similarity index 100% rename from examples/phd_results/t_net_analysis/data_t_net/intermediate_0.001_all.csv rename to examples/phd_results/t_net_analysis/dataNet/intermediate_0.001_all.csv diff --git a/examples/phd_results/t_net_analysis/data_t_net/intermediate_0.001_post.csv b/examples/phd_results/t_net_analysis/dataNet/intermediate_0.001_post.csv similarity index 100% rename from examples/phd_results/t_net_analysis/data_t_net/intermediate_0.001_post.csv rename to examples/phd_results/t_net_analysis/dataNet/intermediate_0.001_post.csv diff --git a/examples/phd_results/t_net_analysis/data_t_net/intermediate_0.01_all.csv b/examples/phd_results/t_net_analysis/dataNet/intermediate_0.01_all.csv similarity index 100% rename from examples/phd_results/t_net_analysis/data_t_net/intermediate_0.01_all.csv rename to examples/phd_results/t_net_analysis/dataNet/intermediate_0.01_all.csv diff --git a/examples/phd_results/t_net_analysis/data_t_net/intermediate_0.01_post.csv b/examples/phd_results/t_net_analysis/dataNet/intermediate_0.01_post.csv similarity index 100% rename from examples/phd_results/t_net_analysis/data_t_net/intermediate_0.01_post.csv rename to examples/phd_results/t_net_analysis/dataNet/intermediate_0.01_post.csv diff --git a/examples/phd_results/t_net_analysis/data_t_net/intermediate_0.1_all.csv b/examples/phd_results/t_net_analysis/dataNet/intermediate_0.1_all.csv similarity index 100% rename from examples/phd_results/t_net_analysis/data_t_net/intermediate_0.1_all.csv rename to examples/phd_results/t_net_analysis/dataNet/intermediate_0.1_all.csv diff --git a/examples/phd_results/t_net_analysis/data_t_net/intermediate_0.1_post.csv b/examples/phd_results/t_net_analysis/dataNet/intermediate_0.1_post.csv similarity index 100% rename from examples/phd_results/t_net_analysis/data_t_net/intermediate_0.1_post.csv rename to examples/phd_results/t_net_analysis/dataNet/intermediate_0.1_post.csv diff --git a/examples/phd_results/t_net_analysis/dataNet/intermediate_10_all.csv b/examples/phd_results/t_net_analysis/dataNet/intermediate_10_all.csv new file mode 100644 index 00000000..f72d9abb --- /dev/null +++ b/examples/phd_results/t_net_analysis/dataNet/intermediate_10_all.csv @@ -0,0 +1,7 @@ +yield,sigma yield,half_life,sigma half_life +0.0005907204232151493,0.0,55.22732091610048,0.0 +0.0031441874956869907,0.0,22.507083381283604,0.0 +0.0023844142629210387,0.0,6.813397911113515,0.0 +0.007363485845659069,0.0,2.275850551991717,0.0 +0.003648168543292984,0.0,0.5128876443699149,0.0 +0.0018097847340523881,0.0,0.04321723401443949,0.0 diff --git a/examples/phd_results/t_net_analysis/dataNet/intermediate_10_post.csv b/examples/phd_results/t_net_analysis/dataNet/intermediate_10_post.csv new file mode 100644 index 00000000..017629fa --- /dev/null +++ b/examples/phd_results/t_net_analysis/dataNet/intermediate_10_post.csv @@ -0,0 +1,7 @@ +yield,sigma yield,half_life,sigma half_life +0.0005870792293887829,0.0,55.289964797259024,0.0 +0.0030914678800217877,0.0,22.664616628706085,0.0 +0.0019688681906939974,0.0,7.588589786446466,0.0 +0.0064391555780816435,0.0,2.6414443366188616,0.0 +0.004439267410030921,0.0,0.799903764420208,0.0 +0.002129293201117738,0.0,0.15793294095181293,0.0 diff --git a/examples/phd_results/t_net_analysis/data_t_net/intermediate_120_all.csv b/examples/phd_results/t_net_analysis/dataNet/intermediate_120_all.csv similarity index 100% rename from examples/phd_results/t_net_analysis/data_t_net/intermediate_120_all.csv rename to examples/phd_results/t_net_analysis/dataNet/intermediate_120_all.csv diff --git a/examples/phd_results/t_net_analysis/data_t_net/intermediate_120_post.csv b/examples/phd_results/t_net_analysis/dataNet/intermediate_120_post.csv similarity index 100% rename from examples/phd_results/t_net_analysis/data_t_net/intermediate_120_post.csv rename to examples/phd_results/t_net_analysis/dataNet/intermediate_120_post.csv diff --git a/examples/phd_results/t_net_analysis/data_t_net/intermediate_1_all.csv b/examples/phd_results/t_net_analysis/dataNet/intermediate_1_all.csv similarity index 100% rename from examples/phd_results/t_net_analysis/data_t_net/intermediate_1_all.csv rename to examples/phd_results/t_net_analysis/dataNet/intermediate_1_all.csv diff --git a/examples/phd_results/t_net_analysis/data_t_net/intermediate_1_post.csv b/examples/phd_results/t_net_analysis/dataNet/intermediate_1_post.csv similarity index 100% rename from examples/phd_results/t_net_analysis/data_t_net/intermediate_1_post.csv rename to examples/phd_results/t_net_analysis/dataNet/intermediate_1_post.csv diff --git a/examples/phd_results/t_net_analysis/data_t_net/intermediate_2_all.csv b/examples/phd_results/t_net_analysis/dataNet/intermediate_2_all.csv similarity index 100% rename from examples/phd_results/t_net_analysis/data_t_net/intermediate_2_all.csv rename to examples/phd_results/t_net_analysis/dataNet/intermediate_2_all.csv diff --git a/examples/phd_results/t_net_analysis/data_t_net/intermediate_2_post.csv b/examples/phd_results/t_net_analysis/dataNet/intermediate_2_post.csv similarity index 100% rename from examples/phd_results/t_net_analysis/data_t_net/intermediate_2_post.csv rename to examples/phd_results/t_net_analysis/dataNet/intermediate_2_post.csv diff --git a/examples/phd_results/t_net_analysis/data_t_net/intermediate_30_all.csv b/examples/phd_results/t_net_analysis/dataNet/intermediate_30_all.csv similarity index 100% rename from examples/phd_results/t_net_analysis/data_t_net/intermediate_30_all.csv rename to examples/phd_results/t_net_analysis/dataNet/intermediate_30_all.csv diff --git a/examples/phd_results/t_net_analysis/data_t_net/intermediate_30_post.csv b/examples/phd_results/t_net_analysis/dataNet/intermediate_30_post.csv similarity index 100% rename from examples/phd_results/t_net_analysis/data_t_net/intermediate_30_post.csv rename to examples/phd_results/t_net_analysis/dataNet/intermediate_30_post.csv diff --git a/examples/phd_results/t_net_analysis/data_t_net/intermediate_3_all.csv b/examples/phd_results/t_net_analysis/dataNet/intermediate_3_all.csv similarity index 100% rename from examples/phd_results/t_net_analysis/data_t_net/intermediate_3_all.csv rename to examples/phd_results/t_net_analysis/dataNet/intermediate_3_all.csv diff --git a/examples/phd_results/t_net_analysis/data_t_net/intermediate_3_post.csv b/examples/phd_results/t_net_analysis/dataNet/intermediate_3_post.csv similarity index 100% rename from examples/phd_results/t_net_analysis/data_t_net/intermediate_3_post.csv rename to examples/phd_results/t_net_analysis/dataNet/intermediate_3_post.csv diff --git a/examples/phd_results/t_net_analysis/data_t_net/intermediate_4_all.csv b/examples/phd_results/t_net_analysis/dataNet/intermediate_4_all.csv similarity index 100% rename from examples/phd_results/t_net_analysis/data_t_net/intermediate_4_all.csv rename to examples/phd_results/t_net_analysis/dataNet/intermediate_4_all.csv diff --git a/examples/phd_results/t_net_analysis/data_t_net/intermediate_4_post.csv b/examples/phd_results/t_net_analysis/dataNet/intermediate_4_post.csv similarity index 100% rename from examples/phd_results/t_net_analysis/data_t_net/intermediate_4_post.csv rename to examples/phd_results/t_net_analysis/dataNet/intermediate_4_post.csv diff --git a/examples/phd_results/t_net_analysis/data_t_net/intermediate_5000_all.csv b/examples/phd_results/t_net_analysis/dataNet/intermediate_5000_all.csv similarity index 100% rename from examples/phd_results/t_net_analysis/data_t_net/intermediate_5000_all.csv rename to examples/phd_results/t_net_analysis/dataNet/intermediate_5000_all.csv diff --git a/examples/phd_results/t_net_analysis/data_t_net/intermediate_5000_post.csv b/examples/phd_results/t_net_analysis/dataNet/intermediate_5000_post.csv similarity index 100% rename from examples/phd_results/t_net_analysis/data_t_net/intermediate_5000_post.csv rename to examples/phd_results/t_net_analysis/dataNet/intermediate_5000_post.csv diff --git a/examples/phd_results/t_net_analysis/data_t_net/intermediate_5_all.csv b/examples/phd_results/t_net_analysis/dataNet/intermediate_5_all.csv similarity index 100% rename from examples/phd_results/t_net_analysis/data_t_net/intermediate_5_all.csv rename to examples/phd_results/t_net_analysis/dataNet/intermediate_5_all.csv diff --git a/examples/phd_results/t_net_analysis/data_t_net/intermediate_5_post.csv b/examples/phd_results/t_net_analysis/dataNet/intermediate_5_post.csv similarity index 100% rename from examples/phd_results/t_net_analysis/data_t_net/intermediate_5_post.csv rename to examples/phd_results/t_net_analysis/dataNet/intermediate_5_post.csv diff --git a/examples/phd_results/t_net_analysis/data_t_net/intermediate_600_all.csv b/examples/phd_results/t_net_analysis/dataNet/intermediate_600_all.csv similarity index 100% rename from examples/phd_results/t_net_analysis/data_t_net/intermediate_600_all.csv rename to examples/phd_results/t_net_analysis/dataNet/intermediate_600_all.csv diff --git a/examples/phd_results/t_net_analysis/data_t_net/intermediate_600_post.csv b/examples/phd_results/t_net_analysis/dataNet/intermediate_600_post.csv similarity index 100% rename from examples/phd_results/t_net_analysis/data_t_net/intermediate_600_post.csv rename to examples/phd_results/t_net_analysis/dataNet/intermediate_600_post.csv diff --git a/examples/phd_results/t_net_analysis/data_t_net/pulse_0.00001_all.csv b/examples/phd_results/t_net_analysis/dataNet/pulse_0.00001_all.csv similarity index 100% rename from examples/phd_results/t_net_analysis/data_t_net/pulse_0.00001_all.csv rename to examples/phd_results/t_net_analysis/dataNet/pulse_0.00001_all.csv diff --git a/examples/phd_results/t_net_analysis/data_t_net/pulse_0.00001_post.csv b/examples/phd_results/t_net_analysis/dataNet/pulse_0.00001_post.csv similarity index 100% rename from examples/phd_results/t_net_analysis/data_t_net/pulse_0.00001_post.csv rename to examples/phd_results/t_net_analysis/dataNet/pulse_0.00001_post.csv diff --git a/examples/phd_results/t_net_analysis/data_t_net/saturation_1200_all.csv b/examples/phd_results/t_net_analysis/dataNet/saturation_1200_all.csv similarity index 100% rename from examples/phd_results/t_net_analysis/data_t_net/saturation_1200_all.csv rename to examples/phd_results/t_net_analysis/dataNet/saturation_1200_all.csv diff --git a/examples/phd_results/t_net_analysis/data_t_net/saturation_1200_post.csv b/examples/phd_results/t_net_analysis/dataNet/saturation_1200_post.csv similarity index 100% rename from examples/phd_results/t_net_analysis/data_t_net/saturation_1200_post.csv rename to examples/phd_results/t_net_analysis/dataNet/saturation_1200_post.csv diff --git a/examples/phd_results/t_net_analysis/data_t_net/intermediate_10_all.csv b/examples/phd_results/t_net_analysis/data_t_net/intermediate_10_all.csv deleted file mode 100644 index 53d0e0ef..00000000 --- a/examples/phd_results/t_net_analysis/data_t_net/intermediate_10_all.csv +++ /dev/null @@ -1,7 +0,0 @@ -yield,sigma yield,half_life,sigma half_life -0.0005960792791545259,0.0,55.135012580612894,0.0 -0.0032076980439315044,0.0,22.300052183480698,0.0 -0.002852067744538698,0.0,6.07979006431029,0.0 -0.0072500454214785865,0.0,2.068868164010149,0.0 -0.004558198674648902,0.0,0.34336751183229575,0.0 -0.001340870481079989,0.0,0.004507230924419563,0.0 diff --git a/examples/phd_results/t_net_analysis/data_t_net/intermediate_10_post.csv b/examples/phd_results/t_net_analysis/data_t_net/intermediate_10_post.csv deleted file mode 100644 index e04c3543..00000000 --- a/examples/phd_results/t_net_analysis/data_t_net/intermediate_10_post.csv +++ /dev/null @@ -1,7 +0,0 @@ -yield,sigma yield,half_life,sigma half_life -0.0005870727013651158,0.0,55.290077835858426,0.0 -0.003091369998492769,0.0,22.664905168525173,0.0 -0.001968341704938068,0.0,7.5899319720354885,0.0 -0.006438600070596588,0.0,2.6418605208557473,0.0 -0.004438727502047097,0.0,0.80027907621914,0.0 -0.0021307909835243557,0.0,0.15804682735133815,0.0 From ed6f8c7e23833318fbc028aff2e7b610c8d9b961 Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Thu, 5 Mar 2026 11:30:00 -0600 Subject: [PATCH 048/259] Alter analysis to use number of time steps --- examples/phd_results/t_net_analysis/analysis.py | 4 ++-- .../intermediate_100_all.csv} | 0 .../intermediate_100_post.csv} | 0 .../intermediate_10_all.csv} | 0 .../intermediate_10_post.csv} | 0 .../t_net_analysis/dataNumSteps5s/intermediate_1_all.csv | 7 +++++++ .../t_net_analysis/dataNumSteps5s/intermediate_1_post.csv | 7 +++++++ 7 files changed, 16 insertions(+), 2 deletions(-) rename examples/phd_results/t_net_analysis/{dataDt5s/intermediate_0.05_all.csv => dataNumSteps5s/intermediate_100_all.csv} (100%) rename examples/phd_results/t_net_analysis/{dataDt5s/intermediate_0.05_post.csv => dataNumSteps5s/intermediate_100_post.csv} (100%) rename examples/phd_results/t_net_analysis/{dataDt5s/intermediate_0.5_all.csv => dataNumSteps5s/intermediate_10_all.csv} (100%) rename examples/phd_results/t_net_analysis/{dataDt5s/intermediate_0.5_post.csv => dataNumSteps5s/intermediate_10_post.csv} (100%) create mode 100644 examples/phd_results/t_net_analysis/dataNumSteps5s/intermediate_1_all.csv create mode 100644 examples/phd_results/t_net_analysis/dataNumSteps5s/intermediate_1_post.csv diff --git a/examples/phd_results/t_net_analysis/analysis.py b/examples/phd_results/t_net_analysis/analysis.py index a3ae6064..e9a653e5 100644 --- a/examples/phd_results/t_net_analysis/analysis.py +++ b/examples/phd_results/t_net_analysis/analysis.py @@ -97,7 +97,7 @@ def helper(pathmod): plot_data(post_data, '_post') plot_data(all_data, '_all') - post_data, all_data = build_data_dict('./dataDt5s/') - xlab = r'Irradiation Time Step $[s]$' + post_data, all_data = build_data_dict('./dataNumSteps5s/') + xlab = r'Number of Irradiation Time Steps' plot_data(post_data, '_post_dt', xlab) plot_data(all_data, '_all_dt', xlab) \ No newline at end of file diff --git a/examples/phd_results/t_net_analysis/dataDt5s/intermediate_0.05_all.csv b/examples/phd_results/t_net_analysis/dataNumSteps5s/intermediate_100_all.csv similarity index 100% rename from examples/phd_results/t_net_analysis/dataDt5s/intermediate_0.05_all.csv rename to examples/phd_results/t_net_analysis/dataNumSteps5s/intermediate_100_all.csv diff --git a/examples/phd_results/t_net_analysis/dataDt5s/intermediate_0.05_post.csv b/examples/phd_results/t_net_analysis/dataNumSteps5s/intermediate_100_post.csv similarity index 100% rename from examples/phd_results/t_net_analysis/dataDt5s/intermediate_0.05_post.csv rename to examples/phd_results/t_net_analysis/dataNumSteps5s/intermediate_100_post.csv diff --git a/examples/phd_results/t_net_analysis/dataDt5s/intermediate_0.5_all.csv b/examples/phd_results/t_net_analysis/dataNumSteps5s/intermediate_10_all.csv similarity index 100% rename from examples/phd_results/t_net_analysis/dataDt5s/intermediate_0.5_all.csv rename to examples/phd_results/t_net_analysis/dataNumSteps5s/intermediate_10_all.csv diff --git a/examples/phd_results/t_net_analysis/dataDt5s/intermediate_0.5_post.csv b/examples/phd_results/t_net_analysis/dataNumSteps5s/intermediate_10_post.csv similarity index 100% rename from examples/phd_results/t_net_analysis/dataDt5s/intermediate_0.5_post.csv rename to examples/phd_results/t_net_analysis/dataNumSteps5s/intermediate_10_post.csv diff --git a/examples/phd_results/t_net_analysis/dataNumSteps5s/intermediate_1_all.csv b/examples/phd_results/t_net_analysis/dataNumSteps5s/intermediate_1_all.csv new file mode 100644 index 00000000..c7793f66 --- /dev/null +++ b/examples/phd_results/t_net_analysis/dataNumSteps5s/intermediate_1_all.csv @@ -0,0 +1,7 @@ +yield,sigma yield,half_life,sigma half_life +0.0005904199394329888,0.0,55.23134874637851,0.0 +0.003137194550517086,0.0,22.525441574823233,0.0 +0.002240666610131754,0.0,6.9786766562306015,0.0 +0.006544460943285461,0.0,2.4625520610958915,0.0 +0.004127913806916037,0.0,0.7359334684585879,0.0 +0.0020146670128793702,0.0,0.151556528708939,0.0 diff --git a/examples/phd_results/t_net_analysis/dataNumSteps5s/intermediate_1_post.csv b/examples/phd_results/t_net_analysis/dataNumSteps5s/intermediate_1_post.csv new file mode 100644 index 00000000..4da0d19f --- /dev/null +++ b/examples/phd_results/t_net_analysis/dataNumSteps5s/intermediate_1_post.csv @@ -0,0 +1,7 @@ +yield,sigma yield,half_life,sigma half_life +0.000590419742943124,0.0,55.231352150176455,0.0 +0.003137192073348421,0.0,22.525449438261457,0.0 +0.002240651631570589,0.0,6.978707107308105,0.0 +0.006544452484095048,0.0,2.462561599041238,0.0 +0.004127921451650911,0.0,0.7359392505586764,0.0 +0.002014684279741236,0.0,0.1515577482822932,0.0 From cb2896d0e0115f35316c2184949e87f5f04f8848 Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Thu, 5 Mar 2026 12:32:57 -0600 Subject: [PATCH 049/259] Add additional assertions to groupfit to make sure it works as it should --- tests/unit/test_groupfit.py | 5 ++++- 1 file changed, 4 insertions(+), 1 deletion(-) diff --git a/tests/unit/test_groupfit.py b/tests/unit/test_groupfit.py index fe20659a..20632185 100644 --- a/tests/unit/test_groupfit.py +++ b/tests/unit/test_groupfit.py @@ -424,7 +424,6 @@ def test_get_mod_counts(): grouper.residual_masks = 'all' grouper.post_irrad_only = False grouper.no_post_irrad = True - grouper grouper.full_fission_term = np.ones(len(irrad_times)) yield_val = 1 half_life = 10 @@ -433,6 +432,10 @@ def test_get_mod_counts(): lam_val = np.log(2)/half_life expected_counts = lam_val * (yield_val / lam_val * (1 - np.exp(-lam_val * irrad_times))) + assert grouper.openmc_settings['min_timestep'] == 1e10 + assert grouper.t_in == 1 + assert grouper.t_ex == 0 + assert grouper.t_net == 10 post_irrad_index = grouper.get_irrad_index(False) assert post_irrad_index == 10 From 24fcacd72a9aab683979066111afd10cb8d85ee8 Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Thu, 5 Mar 2026 15:07:26 -0600 Subject: [PATCH 050/259] Add more data to time step analysis --- .../phd_results/t_net_analysis/analysis.py | 18 ++++++++++++------ .../dataNet/intermediate_1200_all.csv | 7 +++++++ .../dataNet/intermediate_1200_post.csv | 7 +++++++ .../dataNet/saturation_1200_all.csv | 7 ------- .../dataNet/saturation_1200_post.csv | 7 ------- .../dataNumSteps5s/intermediate_1000_all.csv | 7 +++++++ .../dataNumSteps5s/intermediate_1000_post.csv | 7 +++++++ .../dataNumSteps5s/intermediate_50_all.csv | 7 +++++++ .../dataNumSteps5s/intermediate_50_post.csv | 7 +++++++ .../dataNumSteps5s/intermediate_5_all.csv | 7 +++++++ .../dataNumSteps5s/intermediate_5_post.csv | 7 +++++++ 11 files changed, 68 insertions(+), 20 deletions(-) create mode 100644 examples/phd_results/t_net_analysis/dataNet/intermediate_1200_all.csv create mode 100644 examples/phd_results/t_net_analysis/dataNet/intermediate_1200_post.csv delete mode 100644 examples/phd_results/t_net_analysis/dataNet/saturation_1200_all.csv delete mode 100644 examples/phd_results/t_net_analysis/dataNet/saturation_1200_post.csv create mode 100644 examples/phd_results/t_net_analysis/dataNumSteps5s/intermediate_1000_all.csv create mode 100644 examples/phd_results/t_net_analysis/dataNumSteps5s/intermediate_1000_post.csv create mode 100644 examples/phd_results/t_net_analysis/dataNumSteps5s/intermediate_50_all.csv create mode 100644 examples/phd_results/t_net_analysis/dataNumSteps5s/intermediate_50_post.csv create mode 100644 examples/phd_results/t_net_analysis/dataNumSteps5s/intermediate_5_all.csv create mode 100644 examples/phd_results/t_net_analysis/dataNumSteps5s/intermediate_5_post.csv diff --git a/examples/phd_results/t_net_analysis/analysis.py b/examples/phd_results/t_net_analysis/analysis.py index e9a653e5..aa32c4f8 100644 --- a/examples/phd_results/t_net_analysis/analysis.py +++ b/examples/phd_results/t_net_analysis/analysis.py @@ -5,7 +5,7 @@ import os plt.style.use('mosden.plotting') -def plot_data(data_vals, namemod='', xlab=r'Irradiation Time $[s]$'): +def plot_data(data_vals, namemod='', xlab=r'Irradiation Time $[s]$', actual_yield=None): formatted_data = defaultdict(list) formatted_data['yields'] = defaultdict(list) formatted_data['hls'] = defaultdict(list) @@ -28,7 +28,11 @@ def plot_data(data_vals, namemod='', xlab=r'Irradiation Time $[s]$'): markers = ['.', '*', '>', '<', 'v', '^'] print(f'Maximum yield of {total_yields[max_index]} at {formatted_data["xs"][max_index]}s') - plt.plot(formatted_data['xs'], total_yields) + plt.plot(formatted_data['xs'], total_yields, label="Yields") + if actual_yield: + plt.hlines(actual_yield, min(formatted_data['xs']), max(formatted_data['xs']), label='Actual Yield', + linestyle='--', color='orange') + plt.legend() plt.xscale(xscale) plt.xlabel(xlab) plt.ylabel('Total Yield') @@ -93,11 +97,13 @@ def helper(pathmod): return post_data, all_data if __name__ == '__main__': + #actual_yield = 0.018655 + actual_yield = None post_data, all_data = build_data_dict() - plot_data(post_data, '_post') - plot_data(all_data, '_all') + plot_data(post_data, '_post', actual_yield=actual_yield) + plot_data(all_data, '_all', actual_yield=actual_yield) post_data, all_data = build_data_dict('./dataNumSteps5s/') xlab = r'Number of Irradiation Time Steps' - plot_data(post_data, '_post_dt', xlab) - plot_data(all_data, '_all_dt', xlab) \ No newline at end of file + plot_data(post_data, '_post_dt', xlab, actual_yield=actual_yield) + plot_data(all_data, '_all_dt', xlab, actual_yield=actual_yield) \ No newline at end of file diff --git a/examples/phd_results/t_net_analysis/dataNet/intermediate_1200_all.csv b/examples/phd_results/t_net_analysis/dataNet/intermediate_1200_all.csv new file mode 100644 index 00000000..fd0b4219 --- /dev/null +++ b/examples/phd_results/t_net_analysis/dataNet/intermediate_1200_all.csv @@ -0,0 +1,7 @@ +yield,sigma yield,half_life,sigma half_life +0.0005777758000447569,0.0,55.46726307784736,0.0 +0.003014070646221825,0.0,22.957807948589082,0.0 +0.0019990809244505086,0.0,8.082141089792003,0.0 +0.007049954476460081,0.0,2.5368445835126616,0.0 +0.004374995284528601,0.0,0.6583272534405827,0.0 +0.0016872648060187287,0.0,0.12172020526783002,0.0 diff --git a/examples/phd_results/t_net_analysis/dataNet/intermediate_1200_post.csv b/examples/phd_results/t_net_analysis/dataNet/intermediate_1200_post.csv new file mode 100644 index 00000000..35a9eed0 --- /dev/null +++ b/examples/phd_results/t_net_analysis/dataNet/intermediate_1200_post.csv @@ -0,0 +1,7 @@ +yield,sigma yield,half_life,sigma half_life +0.0005771080885334702,0.0,55.47761168843076,0.0 +0.0029960421406315875,0.0,23.003189274421793,0.0 +0.0019012565373335876,0.0,8.35620831202458,0.0 +0.006926863411307543,0.0,2.620276032784385,0.0 +0.004412697914806575,0.0,0.7121766849123173,0.0 +0.0018531329736106751,0.0,0.1389026704379304,0.0 diff --git a/examples/phd_results/t_net_analysis/dataNet/saturation_1200_all.csv b/examples/phd_results/t_net_analysis/dataNet/saturation_1200_all.csv deleted file mode 100644 index 5344c0d2..00000000 --- a/examples/phd_results/t_net_analysis/dataNet/saturation_1200_all.csv +++ /dev/null @@ -1,7 +0,0 @@ -yield,sigma yield,half_life,sigma half_life -0.0005771243371292638,0.0,55.48081611875357,0.0 -0.003012739319976157,0.0,22.969586143388984,0.0 -0.002030301243574989,0.0,8.043850048784337,0.0 -0.007109375113888054,0.0,2.510086618543929,0.0 -0.0043760294212489715,0.0,0.6368977344666057,0.0 -0.0016159408687693988,0.0,0.11373253387826857,0.0 diff --git a/examples/phd_results/t_net_analysis/dataNet/saturation_1200_post.csv b/examples/phd_results/t_net_analysis/dataNet/saturation_1200_post.csv deleted file mode 100644 index eb382360..00000000 --- a/examples/phd_results/t_net_analysis/dataNet/saturation_1200_post.csv +++ /dev/null @@ -1,7 +0,0 @@ -yield,sigma yield,half_life,sigma half_life -0.0005762611622725469,0.0,55.493895657763666,0.0 -0.0029881883988900804,0.0,23.030931376368496,0.0 -0.0018865443985343047,0.0,8.434280814626245,0.0 -0.00692468430202603,0.0,2.6325228359849797,0.0 -0.004429601324485666,0.0,0.7162201664170799,0.0 -0.001862075575732143,0.0,0.13931585236741362,0.0 diff --git a/examples/phd_results/t_net_analysis/dataNumSteps5s/intermediate_1000_all.csv b/examples/phd_results/t_net_analysis/dataNumSteps5s/intermediate_1000_all.csv new file mode 100644 index 00000000..504488b6 --- /dev/null +++ b/examples/phd_results/t_net_analysis/dataNumSteps5s/intermediate_1000_all.csv @@ -0,0 +1,7 @@ +yield,sigma yield,half_life,sigma half_life +0.0006420567960255477,0.0,54.35638354908993,0.0 +0.003565325515196418,0.0,20.913531825418737,0.0 +0.006555873640894113,0.0,3.564083947100355,0.0 +0.005731549685976585,0.0,0.9271559743943968,0.0 +0.0020861411852095353,0.0,0.14872170634140372,0.0 +0.0001047485294252018,0.0,0.0018986318468918477,0.0 diff --git a/examples/phd_results/t_net_analysis/dataNumSteps5s/intermediate_1000_post.csv b/examples/phd_results/t_net_analysis/dataNumSteps5s/intermediate_1000_post.csv new file mode 100644 index 00000000..ddb9d8d0 --- /dev/null +++ b/examples/phd_results/t_net_analysis/dataNumSteps5s/intermediate_1000_post.csv @@ -0,0 +1,7 @@ +yield,sigma yield,half_life,sigma half_life +0.0005904184270829813,0.0,55.231374873684416,0.0 +0.003137174528005383,0.0,22.5255037134342,0.0 +0.0022405276301212516,0.0,6.978940690940743,0.0 +0.006544332105306523,0.0,2.4626475591897248,0.0 +0.004127867690696769,0.0,0.7360112413431618,0.0 +0.0020149751650604896,0.0,0.15158778232503106,0.0 diff --git a/examples/phd_results/t_net_analysis/dataNumSteps5s/intermediate_50_all.csv b/examples/phd_results/t_net_analysis/dataNumSteps5s/intermediate_50_all.csv new file mode 100644 index 00000000..04178049 --- /dev/null +++ b/examples/phd_results/t_net_analysis/dataNumSteps5s/intermediate_50_all.csv @@ -0,0 +1,7 @@ +yield,sigma yield,half_life,sigma half_life +0.0006021673340764964,0.0,55.0287678038575,0.0 +0.0032683262692956203,0.0,22.088595850884868,0.0 +0.0033994562172370464,0.0,5.459150334429745,0.0 +0.006950678380171376,0.0,1.8706376801161926,0.0 +0.0031023624324558532,0.0,0.45491148668105036,0.0 +0.001734702739560994,0.0,0.03995590427833553,0.0 diff --git a/examples/phd_results/t_net_analysis/dataNumSteps5s/intermediate_50_post.csv b/examples/phd_results/t_net_analysis/dataNumSteps5s/intermediate_50_post.csv new file mode 100644 index 00000000..1985b761 --- /dev/null +++ b/examples/phd_results/t_net_analysis/dataNumSteps5s/intermediate_50_post.csv @@ -0,0 +1,7 @@ +yield,sigma yield,half_life,sigma half_life +0.0005904113836468502,0.0,55.23149704607527,0.0 +0.0031370809698599666,0.0,22.52579297907246,0.0 +0.0022398495269453774,0.0,6.980202105897436,0.0 +0.0065436280451903785,0.0,2.4631259215900925,0.0 +0.004128378752750597,0.0,0.7363652006123198,0.0 +0.0020160858170970436,0.0,0.15158626009418205,0.0 diff --git a/examples/phd_results/t_net_analysis/dataNumSteps5s/intermediate_5_all.csv b/examples/phd_results/t_net_analysis/dataNumSteps5s/intermediate_5_all.csv new file mode 100644 index 00000000..a6afaa77 --- /dev/null +++ b/examples/phd_results/t_net_analysis/dataNumSteps5s/intermediate_5_all.csv @@ -0,0 +1,7 @@ +yield,sigma yield,half_life,sigma half_life +0.0006040487232770398,0.0,54.99643017005205,0.0 +0.0032858662091828266,0.0,22.02532205477871,0.0 +0.0035716480122779735,0.0,5.298012927607035,0.0 +0.006977954965265861,0.0,1.8031040644875136,0.0 +0.004054389619828634,0.0,0.3102762948529634,0.0 +0.0018267842223195466,0.0,0.003592586605047965,0.0 diff --git a/examples/phd_results/t_net_analysis/dataNumSteps5s/intermediate_5_post.csv b/examples/phd_results/t_net_analysis/dataNumSteps5s/intermediate_5_post.csv new file mode 100644 index 00000000..cb319b3f --- /dev/null +++ b/examples/phd_results/t_net_analysis/dataNumSteps5s/intermediate_5_post.csv @@ -0,0 +1,7 @@ +yield,sigma yield,half_life,sigma half_life +0.0005904195202098858,0.0,55.231355487388406,0.0 +0.0031371883353184106,0.0,22.525460455184128,0.0 +0.002240618698716042,0.0,6.978761162369362,0.0 +0.006544314656410725,0.0,2.462597501401445,0.0 +0.004127531648290001,0.0,0.7360338131383783,0.0 +0.002015149201266732,0.0,0.15158482961626957,0.0 From 9f4dfbf724288b722b43b36557020cba1efe2f20 Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Mon, 9 Mar 2026 13:10:38 -0500 Subject: [PATCH 051/259] Fix failing test --- tests/unit/test_groupfit.py | 1 + 1 file changed, 1 insertion(+) diff --git a/tests/unit/test_groupfit.py b/tests/unit/test_groupfit.py index 20632185..81d741d3 100644 --- a/tests/unit/test_groupfit.py +++ b/tests/unit/test_groupfit.py @@ -424,6 +424,7 @@ def test_get_mod_counts(): grouper.residual_masks = 'all' grouper.post_irrad_only = False grouper.no_post_irrad = True + grouper.openmc_settings['min_timestep'] = 1e10 grouper.full_fission_term = np.ones(len(irrad_times)) yield_val = 1 half_life = 10 From ddc3d3911e62c15bbd30d53809ae83c4314c7fb8 Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Mon, 9 Mar 2026 13:10:55 -0500 Subject: [PATCH 052/259] Add minimum timestep suggestion --- README.md | 3 +++ 1 file changed, 3 insertions(+) diff --git a/README.md b/README.md index f3e3d905..d759fdc9 100644 --- a/README.md +++ b/README.md @@ -83,6 +83,9 @@ For example, using an in-core residence time of 30 seconds with a net irradiation time of 30 seconds (1 OpenMC simulation) will give less accurate measures of the summed data than an in-core residence time of 30 seconds (30 OpenMC simulations). +This can be resolved by using a smaller minimum OpenMC timestep. +The minimum timestep should be set such that approximately 100 simulations are +run during irradiation. Chemical removal of DNPs changes the group parameters (as expected). However, chemical removal of fission products also has an effect due to the way MoSDeN From 13596a0d617e6b23a14425b3fb8fff82b1836ec3 Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Mon, 9 Mar 2026 13:13:15 -0500 Subject: [PATCH 053/259] Add new sims to results generator --- examples/phd_results/results_generator.py | 51 +++++++++++++++++++++-- 1 file changed, 47 insertions(+), 4 deletions(-) diff --git a/examples/phd_results/results_generator.py b/examples/phd_results/results_generator.py index d3bac284..83b97d17 100644 --- a/examples/phd_results/results_generator.py +++ b/examples/phd_results/results_generator.py @@ -6,23 +6,66 @@ from copy import deepcopy import subprocess from mosden.utils.chemical_schemes import Reprocessing +import numpy as np base_input_file = './input.json' analysis_list = list() name = 'tintex' +dt = 5 +tf = 30 residence_time_analysis = { + 'meta': { + 'name': name, + 'run_full': False, + 'run_post': False, + 'overwrite': True, + }, + 'incore_s': [10, 20, 30], + 'excore_s': [float(i) for i in np.arange(0, tf+dt, dt)], + 'multi_id': [name] +} +analysis_list.append(residence_time_analysis) + +name = 'OpenMC Particles' +nps_analysis = { 'meta': { 'name': name, 'run_full': True, 'run_post': True, 'overwrite': True, }, - 'incore_s': [100, 50], - 'excore_s': [0, 50], + 'nps': [10, 100, 500, 1000, 5000],#, 10000, 50000], 'multi_id': [name] } -analysis_list.append(residence_time_analysis) +analysis_list.append(nps_analysis) + + +name = 'Decay Times' +decay_time_analysis = { + 'meta': { + 'name': name, + 'run_full': True, + 'run_post': True, + 'overwrite': True, + }, + 'num_decay_times': [50, 100, 200, 400, 800], + 'multi_id': [name] +} +analysis_list.append(decay_time_analysis) + +name = 'Decay Time' +decay_time_analysis = { + 'meta': { + 'name': name, + 'run_full': True, + 'run_post': True, + 'overwrite': True, + }, + 'decay_times': [150, 300, 600, 1200, 2400, 4800], + 'multi_id': [name] +} +analysis_list.append(decay_time_analysis) def replace_value(input_data: dict, key: str, new_val: str|float|int) -> bool: @@ -172,4 +215,4 @@ def run_mosden(analysis: dict, input_paths: list[str]) -> None: if analysis['meta']['run_full'] or analysis['meta']['run_post']: input_paths = populate_inputs(analysis, dir_name) run_mosden(analysis, input_paths) - pass \ No newline at end of file + pass From 94508be8ccf9c83093171024b5185b69290ddc9f Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Mon, 9 Mar 2026 13:13:56 -0500 Subject: [PATCH 054/259] Increase number of sig figs in logging of DNP yields --- mosden/postprocessing.py | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/mosden/postprocessing.py b/mosden/postprocessing.py index 2035d1d7..ce30af87 100644 --- a/mosden/postprocessing.py +++ b/mosden/postprocessing.py @@ -1345,10 +1345,10 @@ def _get_sorted_dnp_data(self) -> tuple[dict, dict, dict]: if self.omc: concs = Concentrations(self.input_path) fission_term, fission_times = concs._calculate_fission_term(only_incore=False) + dx = np.diff(fission_times) concentration_data = CSVHandler( self.concentration_path, create=False).read_csv_with_time(trim=False) - dx = np.diff(fission_times) total_fissions = np.sum(dx * fission_term) self.logger.info(f'{total_fissions = }') @@ -1432,7 +1432,7 @@ def _get_summed_params(self) -> tuple[float, float]: f'Writing nuclide emission times concentration (net yield)') for index_val, (nuc, yield_val) in enumerate(sorted_yields.items()): self.logger.info( - f'{nuc} - {round(yield_val.n, 5)} +/- {round(yield_val.s, 5)}') + f'{nuc} - {round(yield_val.n, 7)} +/- {round(yield_val.s, 7)}') sizes.append(yield_val.n) if nuc in self.nuc_colors.keys(): colors[index_val] = self.nuc_colors[nuc] From 4d85119cdad0e7d7de33c57d1a656dadd960adca Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Mon, 9 Mar 2026 13:20:10 -0500 Subject: [PATCH 055/259] Clean up results generator and input --- examples/phd_results/input.json | 4 ++-- examples/phd_results/results_generator.py | 2 +- 2 files changed, 3 insertions(+), 3 deletions(-) diff --git a/examples/phd_results/input.json b/examples/phd_results/input.json index 957f31ab..c616a89d 100644 --- a/examples/phd_results/input.json +++ b/examples/phd_results/input.json @@ -39,8 +39,8 @@ "reprocessing": false }, "base_removal_scaling": 0.5, - "incore_s": 99.9, - "excore_s": 0.1, + "incore_s": 0.3, + "excore_s": 0, "net_irrad_s": 30, "decay_time": 600, "num_decay_times": 100, diff --git a/examples/phd_results/results_generator.py b/examples/phd_results/results_generator.py index 83b97d17..c41d1417 100644 --- a/examples/phd_results/results_generator.py +++ b/examples/phd_results/results_generator.py @@ -35,7 +35,7 @@ 'run_post': True, 'overwrite': True, }, - 'nps': [10, 100, 500, 1000, 5000],#, 10000, 50000], + 'nps': [10, 100, 500, 1000, 5000], 'multi_id': [name] } analysis_list.append(nps_analysis) From 3e36d33b4e04cbcf24548abf96d749e27f9267ec Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Mon, 9 Mar 2026 13:25:53 -0500 Subject: [PATCH 056/259] Use finer timesteps for 5000s irrad --- .../t_net_analysis/dataNet/intermediate_5000_all.csv | 12 ++++++------ .../dataNet/intermediate_5000_post.csv | 12 ++++++------ 2 files changed, 12 insertions(+), 12 deletions(-) diff --git a/examples/phd_results/t_net_analysis/dataNet/intermediate_5000_all.csv b/examples/phd_results/t_net_analysis/dataNet/intermediate_5000_all.csv index b233f028..9889cd3b 100644 --- a/examples/phd_results/t_net_analysis/dataNet/intermediate_5000_all.csv +++ b/examples/phd_results/t_net_analysis/dataNet/intermediate_5000_all.csv @@ -1,7 +1,7 @@ yield,sigma yield,half_life,sigma half_life -0.000576705409255332,0.0,55.48718370069069,0.0 -0.0030013527252656254,0.0,22.998508311128898,0.0 -0.0019498479794932482,0.0,8.242332968716125,0.0 -0.007006733877122229,0.0,2.576751114981142,0.0 -0.004402260798666613,0.0,0.6804870920413328,0.0 -0.0017534807653463748,0.0,0.1281644942069835,0.0 +0.000576917756712231,0.0,55.48391091244194,0.0 +0.0030074794778278775,0.0,22.983455363391936,0.0 +0.0020085020458220047,0.0,8.105458402329596,0.0 +0.007063445278888828,0.0,2.5323026524238013,0.0 +0.004371356624008638,0.0,0.6550392707707646,0.0 +0.0016772007543679973,0.0,0.12077144102601928,0.0 diff --git a/examples/phd_results/t_net_analysis/dataNet/intermediate_5000_post.csv b/examples/phd_results/t_net_analysis/dataNet/intermediate_5000_post.csv index 927484eb..7aa3a19d 100644 --- a/examples/phd_results/t_net_analysis/dataNet/intermediate_5000_post.csv +++ b/examples/phd_results/t_net_analysis/dataNet/intermediate_5000_post.csv @@ -1,7 +1,7 @@ yield,sigma yield,half_life,sigma half_life -0.0005762572713094761,0.0,55.49396612096345,0.0 -0.0029881539027100724,0.0,23.031084684305146,0.0 -0.0018867891489398178,0.0,8.433996420500357,0.0 -0.006924896479208246,0.0,2.632369563619486,0.0 -0.004429401522670126,0.0,0.7161423493452548,0.0 -0.0018618725758255095,0.0,0.13930288167466812,0.0 +0.000576256829992561,0.0,55.49391683217315,0.0 +0.002987977497827005,0.0,23.031495152020387,0.0 +0.001886406765998293,0.0,8.435790714156008,0.0 +0.006924758804759013,0.0,2.632684497413109,0.0 +0.004429810503186607,0.0,0.7162606364020088,0.0 +0.0018621509577297888,0.0,0.13931998047531707,0.0 From 3fc8560f4113bfb1b6e261fd6c0d9edb13d8b1ac Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Mon, 9 Mar 2026 14:33:33 -0500 Subject: [PATCH 057/259] Using 1000 time steps for saturation irradiation (no change) --- .../t_net_analysis/dataNet/intermediate_5000_all.csv | 12 ++++++------ .../dataNet/intermediate_5000_post.csv | 12 ++++++------ 2 files changed, 12 insertions(+), 12 deletions(-) diff --git a/examples/phd_results/t_net_analysis/dataNet/intermediate_5000_all.csv b/examples/phd_results/t_net_analysis/dataNet/intermediate_5000_all.csv index 9889cd3b..dd99a6eb 100644 --- a/examples/phd_results/t_net_analysis/dataNet/intermediate_5000_all.csv +++ b/examples/phd_results/t_net_analysis/dataNet/intermediate_5000_all.csv @@ -1,7 +1,7 @@ yield,sigma yield,half_life,sigma half_life -0.000576917756712231,0.0,55.48391091244194,0.0 -0.0030074794778278775,0.0,22.983455363391936,0.0 -0.0020085020458220047,0.0,8.105458402329596,0.0 -0.007063445278888828,0.0,2.5323026524238013,0.0 -0.004371356624008638,0.0,0.6550392707707646,0.0 -0.0016772007543679973,0.0,0.12077144102601928,0.0 +0.0005720720872390899,0.0,55.55682831326315,0.0 +0.002830528099989927,0.0,23.38945677656511,0.0 +0.0014067311232208997,0.0,10.67381373520948,0.0 +0.005703624723978119,0.0,3.278896575815644,0.0 +0.005712734311083684,0.0,1.0504288768395829,0.0 +0.002479106453519196,0.0,0.16289560229757322,0.0 diff --git a/examples/phd_results/t_net_analysis/dataNet/intermediate_5000_post.csv b/examples/phd_results/t_net_analysis/dataNet/intermediate_5000_post.csv index 7aa3a19d..64a1dd88 100644 --- a/examples/phd_results/t_net_analysis/dataNet/intermediate_5000_post.csv +++ b/examples/phd_results/t_net_analysis/dataNet/intermediate_5000_post.csv @@ -1,7 +1,7 @@ yield,sigma yield,half_life,sigma half_life -0.000576256829992561,0.0,55.49391683217315,0.0 -0.002987977497827005,0.0,23.031495152020387,0.0 -0.001886406765998293,0.0,8.435790714156008,0.0 -0.006924758804759013,0.0,2.632684497413109,0.0 -0.004429810503186607,0.0,0.7162606364020088,0.0 -0.0018621509577297888,0.0,0.13931998047531707,0.0 +0.0005762565600353954,0.0,55.4939659618683,0.0 +0.002988222570130418,0.0,23.031007268968427,0.0 +0.001887721237426173,0.0,8.431971951659571,0.0 +0.006925952785121379,0.0,2.6315263361703396,0.0 +0.004428071271774303,0.0,0.7158460020002585,0.0 +0.0018612510707719991,0.0,0.13926642607212225,0.0 From 7e0f0e6235180b92fde435c0ce87fe5cc4c9f511 Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Tue, 10 Mar 2026 14:54:07 -0500 Subject: [PATCH 058/259] Add debug DNP --- mosden/base.py | 31 +++++++++++++++++++-- mosden/concentrations.py | 52 ++++++++++++++++++++++++++++++++++- mosden/preprocessing.py | 39 ++++++++++++++++++++++++++ mosden/utils/defaults.py | 3 +- mosden/utils/input_handler.py | 8 +++++- 5 files changed, 128 insertions(+), 5 deletions(-) diff --git a/mosden/base.py b/mosden/base.py index aca3b4bb..45d764b7 100644 --- a/mosden/base.py +++ b/mosden/base.py @@ -58,7 +58,7 @@ def __init__(self, input_path: str) -> None: filemode=log_mode) self.name: str = self.input_data['name'] - self.output_dir: str = self.input_data['file_options']['output_dir'] + self.output_dir: str = self.input_data['file_options'].get('output_dir', '') self.logger.debug(f'{self.name = }') self.energy_MeV: float = data_options.get('energy_MeV', 0.0) @@ -66,6 +66,11 @@ def __init__(self, input_path: str) -> None: 'fissile_fractions', {}) self.fissile_targets: list = list(self.fissiles.keys()) + self.debug_dnp_data: dict = data_options.get('debug_dnps', {}) + self.has_debug_dnps: bool = True + if self.debug_dnp_data == {}: + self.has_debug_dnps = False + self.data_types: list[str] = [ 'fission_yield', 'half_life', @@ -169,7 +174,7 @@ def __init__(self, input_path: str) -> None: def time_track(self, starttime: float, modulename: str = '') -> None: self.logger.info(f'{modulename} took {round(time() - starttime, 3)}s') return None - + def _get_use_times(self, single_time_val: bool=False) -> np.ndarray[float]: """ Get all the times steps over which count rate data exists @@ -426,6 +431,28 @@ def save_postproc(self) -> None: with open(self.postproc_path, 'w') as f: json.dump(data_to_write, f, indent=4) return None + + + def _write_processed_data(self, data_type: str, data: dict[str, dict[str, float]]) -> None: + """ + Read the processed data for a given fissile nuclide. + + Parameters + ---------- + data_type : str + The type of data to read (e.g., "fission_yield", "half_life", + "cross_section", "emission_probability"). + data : dict[str: dict[str: float]] + The processed data for the fissile nuclide. + + """ + data_path = os.path.join(self.processed_data_dir, f'{data_type}.csv') + csv_handler = CSVHandler(data_path, create=False) + if not csv_handler._file_exists(): + raise FileNotFoundError( + f"Processed data file {data_path} does not exist.") + data = csv_handler.write_csv(data) + return None def _read_processed_data(self, data_type: str) -> dict[str: dict[str: float]]: diff --git a/mosden/concentrations.py b/mosden/concentrations.py index e3a28e0b..bfd269ed 100644 --- a/mosden/concentrations.py +++ b/mosden/concentrations.py @@ -93,10 +93,60 @@ def generate_concentrations(self) -> None: f"Concentration handling method '{ self.conc_method}' is not implemented") + data = self._add_debug_dnp_data(data) CSVHandler(self.concentration_path, self.conc_overwrite).write_csv_with_time(data) self.save_postproc() self.time_track(start, 'Concentrations') return + + def _add_debug_dnp_data(self, data: list[dict[str, float]]) -> list[dict[str, float]]: + """ + Add debug DNP data to the existing concentration data + + Parameters + ---------- + data : list[dict[str, float]] + List of data at each point in time for concentration + + Returns + ------- + data : list[dict[str, float]] + List of data at each point in time for concentration + """ + if not self.has_debug_dnps: + return data + + times = list(sorted(set(i['Time'] for i in data))) + for nuc, nuc_vals in self.debug_dnp_data.items(): + fission_rates, _ = self._calculate_fission_term(False) + len_diff = len(times) - len(fission_rates) + fission_rates = np.append(fission_rates, [0]*len_diff) + concs = [0] + p_concs = [0] + lam = np.log(2) / nuc_vals['half_life_s'] + y = nuc_vals['yield'] + dt = np.diff(times) + try: + y_p = nuc_vals['parent']['yield'] + lam_p = np.log(2) / nuc_vals['parent']['half_life_s'] + except NameError: + cur_p_conc = 0 + y_p = 0 + lam_p = 1 + for ti, t in enumerate(times[:-1]): + cur_p_conc = ((p_concs[ti] + fission_rates[ti] * dt[ti] * y_p) / (1 + lam_p*dt[ti])) + cur_conc = ((concs[ti] + dt[ti] * lam * cur_p_conc + fission_rates[ti] * dt[ti] * y) / (1 + lam*dt[ti])) + p_concs.append(cur_p_conc) + concs.append(cur_conc) + data.append( + { + 'Time': t, + 'Nuclide': nuc, + 'Concentration': concs[ti], + 'sigma Concentration': 1e-12 + } + ) + return data def CFY_concentrations(self) -> list[dict[str, float]]: """ @@ -413,7 +463,7 @@ def _collect_omc_nuyield(self) -> dict[str, dict[str, np.ndarray]]: json.dump(nuyield, f, indent=4, default=self._json_default) return nuyield - def _calculate_fission_term(self, only_incore: bool=True) -> list[float]: + def _calculate_fission_term(self, only_incore: bool=True) -> tuple[list[float], list[float]]: """ Calculate the fission rate or number of fissions. The fission rate is used for saturation irradiations, while the number diff --git a/mosden/preprocessing.py b/mosden/preprocessing.py index 3493c218..0a68ad70 100644 --- a/mosden/preprocessing.py +++ b/mosden/preprocessing.py @@ -56,9 +56,48 @@ def run(self) -> None: if any(word in path for word in ids): func(data_val, path) self.save_postproc() + self._add_debug_dnps() self.time_track(start, 'Preprocessing') return None + def _add_debug_dnps(self) -> None: + """ + Writes debug DNPs to all data files (if applicable) + """ + if not self.debug_dnp_data: + return None + + data_types = ['emission_probability', 'half_life', 'fission_yield'] + + for data_type in data_types: + if data_type == 'emission_probability': + key = 'pn' + target_key = 'emission probability' + elif data_type == 'half_life': + key = 'half_life_s' + target_key = 'half_life' + elif data_type == 'yield': + key = 'yield' + target_key = 'CFY' + else: + raise KeyError('Data type does not have a valid key') + + for nuc, nuc_data in self.debug_dnp_data.items(): + debug_data = nuc_data[key] + data = self._read_processed_data(data_type) + _, old_val = list(data.items())[-1] + if type(old_val) is float: + data[nuc] = debug_data + continue + + for keys_needed, vals_used in old_val.items(): + if keys_needed == target_key: + data[nuc][keys_needed] = debug_data + else: + data[nuc][keys_needed] = vals_used + self._write_processed_data(data_type, data) + return None + def openmc_preprocess(self, data_val: str, unprocessed_path: str) -> None: """ Processes OpenMC data diff --git a/mosden/utils/defaults.py b/mosden/utils/defaults.py index 9c631c19..b40da257 100644 --- a/mosden/utils/defaults.py +++ b/mosden/utils/defaults.py @@ -24,7 +24,8 @@ "processed_data_dir": f"{current_dir}/", "output_dir": f"{current_dir}/", "log_level": 20, - "log_file": f"{current_dir}/log.log" + "log_file": f"{current_dir}/log.log", + "debug_dnps": {} }, "data_options": { "half_life": "iaea/eval.csv", diff --git a/mosden/utils/input_handler.py b/mosden/utils/input_handler.py index d3ba900e..d0f628cf 100644 --- a/mosden/utils/input_handler.py +++ b/mosden/utils/input_handler.py @@ -23,7 +23,8 @@ def __init__(self, input_path: str) -> None: self.preprocessing_occurance_index = 2 self.leaf_dict_keys: set = set(( "reprocessing", - "fissile_fractions" + "fissile_fractions", + "debug_dnps" )) return None @@ -90,6 +91,11 @@ def _apply_defaults(self, data: dict, defaults: dict, path: str='') -> dict: if InputHandler._default_counts[full_key] == self.preprocessing_occurance_index: self.logger.warning(f"Using default for '{full_key}': {defaults[k]!r}", stacklevel=2) final[k] = defaults[k] + + for k in data.keys(): + if k not in defaults: + final[k] = data[k] + return final def _check_behaviour(self, data: dict) -> None: From d38cb6bb28e6c876cf160788cba2b6ab9a8e1773 Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Tue, 10 Mar 2026 14:54:42 -0500 Subject: [PATCH 059/259] Update json schema --- mosden/templates/input_schema.json | 40 ++++++++++++++++++++++++++++++ 1 file changed, 40 insertions(+) diff --git a/mosden/templates/input_schema.json b/mosden/templates/input_schema.json index a412c396..885c3d52 100644 --- a/mosden/templates/input_schema.json +++ b/mosden/templates/input_schema.json @@ -129,6 +129,46 @@ "type": "number", "description": "These properties should be named the fissile nuclide (such as U235) and detail the weighting as a float (e.g. 0.3)" } + }, + "debug_dnps": { + "type": "object", + "description": "A set of delayed neutron precursors that can be manually defined for debugging purposes", + "additionalProperties": { + "type": "object", + "description": "A single delayed neutron precursor definition", + "properties": { + "yield": { + "type": "number", + "description": "Yield of the nuclide" + }, + "half_life_s": { + "type": "number", + "description": "Half-life in seconds" + }, + "pn": { + "type": "number", + "description": "Delayed neutron emission probability" + }, + "parent": { + "type": "object", + "description": "Optional parent nuclide of the DNP", + "properties": { + "yield": { + "type": "number", + "description": "Yield of the parent (times the branching ratio)" + }, + "half_life_s": { + "type": "number", + "description": "Half-life in seconds" + } + }, + "required": ["yield", "half_life_s"], + "additionalProperties": false + } + }, + "required": ["yield", "half_life_s", "pn"], + "additionalProperties": false + } } } }, From dd163d27135535f88a9c7249a18fd5c15eea981c Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Tue, 10 Mar 2026 14:58:19 -0500 Subject: [PATCH 060/259] Fix typo and small bug --- mosden/preprocessing.py | 3 ++- 1 file changed, 2 insertions(+), 1 deletion(-) diff --git a/mosden/preprocessing.py b/mosden/preprocessing.py index 0a68ad70..2e492ed2 100644 --- a/mosden/preprocessing.py +++ b/mosden/preprocessing.py @@ -76,7 +76,7 @@ def _add_debug_dnps(self) -> None: elif data_type == 'half_life': key = 'half_life_s' target_key = 'half_life' - elif data_type == 'yield': + elif data_type == 'fission_yield': key = 'yield' target_key = 'CFY' else: @@ -85,6 +85,7 @@ def _add_debug_dnps(self) -> None: for nuc, nuc_data in self.debug_dnp_data.items(): debug_data = nuc_data[key] data = self._read_processed_data(data_type) + data[nuc] = dict() _, old_val = list(data.items())[-1] if type(old_val) is float: data[nuc] = debug_data From f3b6520ac31998b2d7b12ee42474599a0eebccc5 Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Tue, 10 Mar 2026 15:01:07 -0500 Subject: [PATCH 061/259] Adjust test to account for default now allowing other args --- tests/unit/test_utils.py | 1 + 1 file changed, 1 insertion(+) diff --git a/tests/unit/test_utils.py b/tests/unit/test_utils.py index 36bab735..a7a62a11 100644 --- a/tests/unit/test_utils.py +++ b/tests/unit/test_utils.py @@ -49,6 +49,7 @@ def test_input_handler(): data = input_handler.read_input(check=True, apply_defaults=False) data = input_handler.read_input(check=True, apply_defaults=True) + data.pop('key') default_data = json.loads(json.dumps(DEFAULTS)) assert default_data == data, "Default application failed" From 61fe892a305d16d80373868b05c12042256f081f Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Tue, 10 Mar 2026 15:24:02 -0500 Subject: [PATCH 062/259] Fix bug in writing debug dnp to preproc --- mosden/base.py | 6 ++++-- mosden/preprocessing.py | 6 +++--- 2 files changed, 7 insertions(+), 5 deletions(-) diff --git a/mosden/base.py b/mosden/base.py index 45d764b7..617c47fc 100644 --- a/mosden/base.py +++ b/mosden/base.py @@ -433,7 +433,7 @@ def save_postproc(self) -> None: return None - def _write_processed_data(self, data_type: str, data: dict[str, dict[str, float]]) -> None: + def _write_processed_data(self, data_type: str, overwrite: bool, data: dict[str, dict[str, float]]) -> None: """ Read the processed data for a given fissile nuclide. @@ -442,12 +442,14 @@ def _write_processed_data(self, data_type: str, data: dict[str, dict[str, float] data_type : str The type of data to read (e.g., "fission_yield", "half_life", "cross_section", "emission_probability"). + overwrite : bool + Whether or not to overwrite existing data data : dict[str: dict[str: float]] The processed data for the fissile nuclide. """ data_path = os.path.join(self.processed_data_dir, f'{data_type}.csv') - csv_handler = CSVHandler(data_path, create=False) + csv_handler = CSVHandler(data_path, create=False, overwrite=overwrite) if not csv_handler._file_exists(): raise FileNotFoundError( f"Processed data file {data_path} does not exist.") diff --git a/mosden/preprocessing.py b/mosden/preprocessing.py index 2e492ed2..461ae44e 100644 --- a/mosden/preprocessing.py +++ b/mosden/preprocessing.py @@ -85,18 +85,18 @@ def _add_debug_dnps(self) -> None: for nuc, nuc_data in self.debug_dnp_data.items(): debug_data = nuc_data[key] data = self._read_processed_data(data_type) + _, old_val = list(data.items())[0] data[nuc] = dict() - _, old_val = list(data.items())[-1] if type(old_val) is float: data[nuc] = debug_data continue - + for keys_needed, vals_used in old_val.items(): if keys_needed == target_key: data[nuc][keys_needed] = debug_data else: data[nuc][keys_needed] = vals_used - self._write_processed_data(data_type, data) + self._write_processed_data(data_type, True, data) return None def openmc_preprocess(self, data_val: str, unprocessed_path: str) -> None: From afb0b47c5d2b9078c6d241848499abbfe6553e7d Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Tue, 10 Mar 2026 15:37:08 -0500 Subject: [PATCH 063/259] Fix conc time steps --- mosden/concentrations.py | 8 ++++++++ 1 file changed, 8 insertions(+) diff --git a/mosden/concentrations.py b/mosden/concentrations.py index bfd269ed..9bcf67ac 100644 --- a/mosden/concentrations.py +++ b/mosden/concentrations.py @@ -146,6 +146,14 @@ def _add_debug_dnp_data(self, data: list[dict[str, float]]) -> list[dict[str, fl 'sigma Concentration': 1e-12 } ) + data.append( + { + 'Time': times[-1], + 'Nuclide': nuc, + 'Concentration': concs[-1], + 'sigma Concentration': 1e-12 + } + ) return data def CFY_concentrations(self) -> list[dict[str, float]]: From aa369dda9f633f576032b84945c55ffc5e5457d6 Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Wed, 11 Mar 2026 09:19:26 -0500 Subject: [PATCH 064/259] Fix debug dnp conc calculation and add tests --- mosden/concentrations.py | 35 ++++++++- tests/unit/test_concentrations.py | 126 +++++++++++++++++++++++++++++- 2 files changed, 157 insertions(+), 4 deletions(-) diff --git a/mosden/concentrations.py b/mosden/concentrations.py index 9bcf67ac..28ebf0e5 100644 --- a/mosden/concentrations.py +++ b/mosden/concentrations.py @@ -99,6 +99,35 @@ def generate_concentrations(self) -> None: self.time_track(start, 'Concentrations') return + def _evaluate_conc(self, cur_conc: float, cur_p_conc: float, lam_p: float, lam: float, ti: int, dt: list[float], fission_rates: list[float], concs: list[float], p_concs: list[float], y_p: float, y: float): + exp_p = np.exp(-lam_p * dt[ti]) + exp_c = np.exp(-lam * dt[ti]) + + if lam_p > 0: + cur_p_conc = p_concs[ti] * exp_p + (fission_rates[ti] * y_p / lam_p) * (1 - exp_p) + else: + cur_p_conc = p_concs[ti] + fission_rates[ti] * y_p * dt[ti] + + if lam > 0: + fission_source = (fission_rates[ti] * y / lam) * (1 - exp_c) + if abs(lam - lam_p) > 1e-10: + fission_source += fission_rates[ti] * y_p * ( + (1 - exp_c) / lam - (exp_p - exp_c) / (lam - lam_p) + ) + else: + fission_source += fission_rates[ti] * y_p * dt[ti] * exp_c + else: + fission_source = fission_rates[ti] * y * dt[ti] + + B = lam_p * p_concs[ti] + if abs(lam - lam_p) > 1e-10: + feed_term = (B / (lam - lam_p)) * (exp_p - exp_c) + else: + feed_term = B * dt[ti] * exp_c + + cur_conc = concs[ti] * exp_c + fission_source + feed_term + return cur_conc, cur_p_conc + def _add_debug_dnp_data(self, data: list[dict[str, float]]) -> list[dict[str, float]]: """ Add debug DNP data to the existing concentration data @@ -126,16 +155,16 @@ def _add_debug_dnp_data(self, data: list[dict[str, float]]) -> list[dict[str, fl lam = np.log(2) / nuc_vals['half_life_s'] y = nuc_vals['yield'] dt = np.diff(times) + cur_p_conc = 0 + cur_conc = 0 try: y_p = nuc_vals['parent']['yield'] lam_p = np.log(2) / nuc_vals['parent']['half_life_s'] except NameError: - cur_p_conc = 0 y_p = 0 lam_p = 1 for ti, t in enumerate(times[:-1]): - cur_p_conc = ((p_concs[ti] + fission_rates[ti] * dt[ti] * y_p) / (1 + lam_p*dt[ti])) - cur_conc = ((concs[ti] + dt[ti] * lam * cur_p_conc + fission_rates[ti] * dt[ti] * y) / (1 + lam*dt[ti])) + cur_conc, cur_p_conc = self._evaluate_conc(cur_conc, cur_p_conc, lam_p, lam, ti, dt, fission_rates, concs, p_concs, y_p, y) p_concs.append(cur_p_conc) concs.append(cur_conc) data.append( diff --git a/tests/unit/test_concentrations.py b/tests/unit/test_concentrations.py index 533837ef..9d3d6c89 100644 --- a/tests/unit/test_concentrations.py +++ b/tests/unit/test_concentrations.py @@ -1,4 +1,6 @@ from mosden.concentrations import Concentrations +import numpy as np +from scipy.integrate import trapezoid def test_concentrations_init(): """ @@ -12,4 +14,126 @@ def test_concentrations_init(): assert conc.energy_MeV == 1.0, f"Expected energy 1.0, but got {conc.energy_MeV}" assert conc.fissiles == {'U235': 0.8, 'U238': 0.2}, f"Expected fissile targets {{'U235': 0.8, 'U238': 0.2}}, but got {conc.fissiles}" - return \ No newline at end of file + return + +def test_evaluate_conc(): + input_path = './tests/unit/input/input.json' + conc = Concentrations(input_path) + dt = np.diff([0, 1, 2]) + + # N(dt) = (F*y/lam) * (1 - exp(-lam*dt)) + lam = np.log(2) / 10 + lam_p = np.log(2) / 10 + new_conc, new_p_conc = conc._evaluate_conc( + cur_conc=0, cur_p_conc=0, lam_p=lam_p, lam=lam, ti=0, + dt=dt, fission_rates=[1, 1, 1], concs=[0], p_concs=[0], + y_p=0.0, y=1.0 + ) + assert new_p_conc == 0 + expected = (1.0 / lam) * (1 - np.exp(-lam * 1)) + assert np.isclose(new_conc, expected) + + # N(dt) = N0 * exp(-lam*dt) + N0 = 5.0 + lam = np.log(2) / 10 + new_conc, new_p_conc = conc._evaluate_conc( + cur_conc=N0, cur_p_conc=0, lam_p=0, lam=lam, ti=0, + dt=dt, fission_rates=[0, 0, 0], concs=[N0], p_concs=[0], + y_p=0.0, y=1.0 + ) + expected = N0 * np.exp(-lam * 1) + assert np.isclose(new_conc, expected) + + # N(dt) = N0*exp(-l*dt) + (lp*Np0/(l-lp)) * (exp(-lp*dt) - exp(-l*dt)) + lam_p = np.log(2) / 30 + lam = np.log(2) / 10 + Np0, Nc0 = 10.0, 0.0 + new_conc, new_p_conc = conc._evaluate_conc( + cur_conc=Nc0, cur_p_conc=Np0, lam_p=lam_p, lam=lam, ti=0, + dt=dt, fission_rates=[0, 0, 0], concs=[Nc0], p_concs=[Np0], + y_p=0.0, y=0.0 + ) + expected_p = Np0 * np.exp(-lam_p * 1) + expected_c = (Nc0 * np.exp(-lam * 1) + + (lam_p * Np0 / (lam - lam_p)) + * (np.exp(-lam_p * 1) - np.exp(-lam * 1))) + assert np.isclose(new_p_conc, expected_p), 'Parent incorrect' + assert np.isclose(new_conc, expected_c), 'Daughter incorrect' + + # Same but equal half-lives + lam_p = lam = np.log(2) / 10 + Np0, Nc0 = 10.0, 0.0 + new_conc, new_p_conc = conc._evaluate_conc( + cur_conc=Nc0, cur_p_conc=Np0, lam_p=lam_p, lam=lam, ti=0, + dt=dt, fission_rates=[0, 0, 0], concs=[Nc0], p_concs=[Np0], + y_p=0.0, y=0.0 + ) + expected_p = Np0 * np.exp(-lam_p * 1) + expected_c = lam_p * Np0 * 1 * np.exp(-lam * 1) + assert np.isclose(new_p_conc, expected_p), 'Parent incorrect' + assert np.isclose(new_conc, expected_c), 'Daughter incorrect' + + # N(dt) = N0 + F*y*dt + lam = 0.0 + lam_p = np.log(2) / 10 + new_conc, new_p_conc = conc._evaluate_conc( + cur_conc=0, cur_p_conc=0, lam_p=lam_p, lam=lam, ti=0, + dt=dt, fission_rates=[2, 2, 2], concs=[0], p_concs=[0], + y_p=0.0, y=3.0 + ) + expected = 2.0 * 3.0 * 1 + assert np.isclose(new_conc, expected) + + # Pulse irradiation + lam = np.log(2) / 10 + lam_p = 1.0 + y, y_p = 1.0, 0.0 + F = 846.364 + + irrad_times = [0, 1e-5] + decay_times = list(np.linspace(1e-5, 600, 301)) + all_times = irrad_times + decay_times[1:] + dt_all = np.diff(all_times) + + fission_rates = [F] + [0] * (len(dt_all)) + + concs_all = [0] + p_concs_all = [0] + cur_conc = cur_p_conc = 0.0 + + for ti in range(len(dt_all)): + cur_conc, cur_p_conc = conc._evaluate_conc( + cur_conc, cur_p_conc, lam_p, lam, ti, + dt_all, fission_rates, concs_all, p_concs_all, y_p, y + ) + concs_all.append(cur_conc) + p_concs_all.append(cur_p_conc) + + times_arr = np.array(all_times) + concs_arr = np.array(concs_all) + total_fissions = F * 1e-5 + total_delnus = trapezoid(lam * concs_arr, times_arr) + yield_val = total_delnus / total_fissions + + assert np.isclose(yield_val, 1.0, atol=1e-4), 'Yield incorrect' + + +def test_evaluate_conc(): + input_path = './tests/unit/input/input.json' + conc = Concentrations(input_path) + times = [0, 1, 2] + dt = np.diff(times) + cur_conc = 0 + cur_p_conc = 0 + lam_p = np.log(2) / 10 + lam = np.log(2) / 10 + ti = 0 + fission_rates = [1, 1, 1] + concs = [0] + p_concs = [0] + y_p = 0.0 + y = 1.0 + new_conc, new_p_conc = conc._evaluate_conc(cur_conc, cur_p_conc, lam_p, lam, ti, dt, fission_rates, concs, p_concs, y_p, y) + assert new_p_conc == 0 + new_conc_expected = 1/lam * (1 - np.exp(-lam * 1)) + assert new_conc == new_conc_expected From 349ad5835ca78017e66e257a500d695de16f633b Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Wed, 11 Mar 2026 09:23:21 -0500 Subject: [PATCH 065/259] Add missing docstring for evaluate conc --- mosden/concentrations.py | 36 +++++++++++++++++++++++++++++++++++- 1 file changed, 35 insertions(+), 1 deletion(-) diff --git a/mosden/concentrations.py b/mosden/concentrations.py index 28ebf0e5..ec647c36 100644 --- a/mosden/concentrations.py +++ b/mosden/concentrations.py @@ -99,7 +99,41 @@ def generate_concentrations(self) -> None: self.time_track(start, 'Concentrations') return - def _evaluate_conc(self, cur_conc: float, cur_p_conc: float, lam_p: float, lam: float, ti: int, dt: list[float], fission_rates: list[float], concs: list[float], p_concs: list[float], y_p: float, y: float): + def _evaluate_conc(self, cur_conc: float, cur_p_conc: float, lam_p: float, lam: float, ti: int, dt: list[float], fission_rates: list[float], concs: list[float], p_concs: list[float], y_p: float, y: float) -> tuple[float, float]: + """ + Evaluates the concentration of a nuclide and its decay parent. + Yield of parent is assumed to be scaled by branching ratio. + + Parameters + ---------- + cur_conc : float + Current concentration of target nuclide + cur_p_conc : float + Current concentration of parent nuclide + lam_p : float + Parent decay constant [s] + lam : float + Target decay constant [s] + ti : int + The current time index + dt : list[float] + The list of time step sizes [s] + fission_rates : list[float] + The list of fission rates at each time step [1/s] + concs : list[float] + The list of concentrations at each time step for the target nuclide + p_concs : list[float] + The list of concentrations at each time step for the parent nuclide + y_p : float + Parent yield per fission scaled by branching ratio + y : float + Target yield per fission + + Returns + ------- + cur_conc, cur_p_conc : tuple[float, float] + The updated concentrations of the target and parent nuclides + """ exp_p = np.exp(-lam_p * dt[ti]) exp_c = np.exp(-lam * dt[ti]) From fd2063dd552c75769c369300e3236731db0d8af9 Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Wed, 11 Mar 2026 09:38:30 -0500 Subject: [PATCH 066/259] Clean up times --- tests/unit/test_concentrations.py | 18 +++++++++--------- 1 file changed, 9 insertions(+), 9 deletions(-) diff --git a/tests/unit/test_concentrations.py b/tests/unit/test_concentrations.py index 9d3d6c89..f913957a 100644 --- a/tests/unit/test_concentrations.py +++ b/tests/unit/test_concentrations.py @@ -85,15 +85,15 @@ def test_evaluate_conc(): assert np.isclose(new_conc, expected) # Pulse irradiation - lam = np.log(2) / 10 + lam = np.log(2) / 10 lam_p = 1.0 y, y_p = 1.0, 0.0 F = 846.364 irrad_times = [0, 1e-5] - decay_times = list(np.linspace(1e-5, 600, 301)) - all_times = irrad_times + decay_times[1:] - dt_all = np.diff(all_times) + decay_times = list(np.geomspace(1e-2, 600, 300)) + all_times = irrad_times + (decay_times + 1e-5) + dt_all = np.diff(all_times) fission_rates = [F] + [0] * (len(dt_all)) @@ -109,13 +109,13 @@ def test_evaluate_conc(): concs_all.append(cur_conc) p_concs_all.append(cur_p_conc) - times_arr = np.array(all_times) - concs_arr = np.array(concs_all) + times_arr = np.array(all_times) + concs_arr = np.array(concs_all) total_fissions = F * 1e-5 - total_delnus = trapezoid(lam * concs_arr, times_arr) - yield_val = total_delnus / total_fissions + total_delnus = trapezoid(lam * concs_arr, times_arr) + yield_val = total_delnus / total_fissions - assert np.isclose(yield_val, 1.0, atol=1e-4), 'Yield incorrect' + assert np.isclose(yield_val, 1.0, atol=1e-6), 'Yield incorrect' def test_evaluate_conc(): From 1c427663be37245aafa6ed26e9a226629a40d6cd Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Wed, 11 Mar 2026 10:38:59 -0500 Subject: [PATCH 067/259] Split up integration for yield dnp calc --- mosden/postprocessing.py | 10 +++++++--- 1 file changed, 7 insertions(+), 3 deletions(-) diff --git a/mosden/postprocessing.py b/mosden/postprocessing.py index ce30af87..9a95e04b 100644 --- a/mosden/postprocessing.py +++ b/mosden/postprocessing.py @@ -1,5 +1,6 @@ from logging import INFO from uncertainties import ufloat, unumpy +import uncertainties.umath as umath import numpy as np import os from mosden.utils.literature_handler import Literature @@ -10,7 +11,7 @@ from mosden.base import BaseClass import matplotlib.ticker as ticker import matplotlib.pyplot as plt -from scipy.integrate import cumulative_trapezoid, trapezoid +from scipy.integrate import cumulative_trapezoid, trapezoid, simpson import re import pandas as pd from scipy.stats import linregress @@ -1323,7 +1324,7 @@ def _get_data(self) -> dict[str: dict]: use_nucs.append(nuc) data_dict['net_nucs'] = use_nucs return data_dict - + def _get_sorted_dnp_data(self) -> tuple[dict, dict, dict]: """ Get the sorted delayed neutron precursor data by yield @@ -1341,6 +1342,7 @@ def _get_sorted_dnp_data(self) -> tuple[dict, dict, dict]: self.total_delayed_neutrons: float = 0.0 nuc_concs: dict[str, float] = dict() + irrad_index = self.get_irrad_index(False) if self.omc: concs = Concentrations(self.input_path) @@ -1371,7 +1373,9 @@ def _get_sorted_dnp_data(self) -> tuple[dict, dict, dict]: std_devs.append(std_dev) concs_with_uncerts = unumpy.uarray(nom_vals, std_devs) delnus_over_time = concs_with_uncerts * Pn * lam_val - total_delnus = trapezoid(delnus_over_time, times) + irrad_delnus = trapezoid(delnus_over_time[:irrad_index+1], times[:irrad_index+1]) + decay_delnus = simpson(delnus_over_time[irrad_index:], times[irrad_index:]) + total_delnus = irrad_delnus + decay_delnus yield_val = total_delnus / total_fissions nuc_yield[nuc] = yield_val From c563a64163f8df7e662e4c0a5fe323cac828bc92 Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Wed, 11 Mar 2026 10:39:56 -0500 Subject: [PATCH 068/259] Add zero DNP example for debugging --- examples/zero_dnps/emission_probability.csv | 5 ++ examples/zero_dnps/input.json | 76 +++++++++++++++++++++ 2 files changed, 81 insertions(+) create mode 100644 examples/zero_dnps/emission_probability.csv create mode 100644 examples/zero_dnps/input.json diff --git a/examples/zero_dnps/emission_probability.csv b/examples/zero_dnps/emission_probability.csv new file mode 100644 index 00000000..fb9bbe00 --- /dev/null +++ b/examples/zero_dnps/emission_probability.csv @@ -0,0 +1,5 @@ +Nuclide,emission probability,sigma emission probability,half_life,sigma half_life +Br87,0.026,0.0004,55.65,0.13 +I137,0.0714,0.0023,24.5,0.2 +Rb94,0.105,0.004,2.702,0.005 +As86,0.1248662982,1e-12,0.945,0.008 \ No newline at end of file diff --git a/examples/zero_dnps/input.json b/examples/zero_dnps/input.json new file mode 100644 index 00000000..8a226719 --- /dev/null +++ b/examples/zero_dnps/input.json @@ -0,0 +1,76 @@ +{ + "name": "Four DNPs", + "file_options": { + "overwrite": { + "preprocessing": false, + "concentrations": true, + "count_rate": true, + "group_fitting": true, + "postprocessing": true, + "logger": true + }, + "unprocessed_data_dir": "/home/luke/github/mosden/mosden/data/unprocessed/", + "log_level": 20 + }, + "data_options": { + "half_life": "endfb71/decay/", + "cross_section": "", + "emission_probability": "endfb71/decay/", + "fission_yield": "endfb71/nfy/", + "decay_time_spacing": "log", + "temperature_K": 920, + "density_g_cm3": 2.3275, + "energy_MeV": 0.0253e-6, + "fissile_fractions": { + "U235": 1.0 + }, + "debug_dnps": { + "Zz99": { + "yield": 1.0, + "half_life_s": 10, + "pn": 1, + "parent": { + "yield": 0.000, + "half_life_s": 10 + } + } + } + }, + "modeling_options": { + "concentration_handling": "OMC", + "count_rate_handling": "data", + "residual_handling": ["post-irrad"], + "reprocessing_locations": ["excore"], + "reprocessing": { + "Xe": 0.0 + }, + "irrad_type": "intermediate", + "spatial_scaling": { + "flux": false, + "reprocessing": false + }, + "base_removal_scaling": 0.5, + "incore_s": 0.000001, + "excore_s": 0, + "net_irrad_s": 0.00001, + "decay_time": 600, + "num_decay_times": 100, + "openmc_settings": { + "nps": 5000, + "batches": 10, + "source": 1e3, + "run_omc": true, + "write_fission_json": true, + "write_nuyield_json": true, + "min_timestep": 1e10 + } + }, + "group_options": { + "num_groups": 1, + "method": "nlls", + "parameter_guesses": 10, + "samples": 1, + "sample_func": "normal", + "seed": 1 + } +} From d94eb606d7b36e2842154a968613fe4b654650bf Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Wed, 11 Mar 2026 10:40:39 -0500 Subject: [PATCH 069/259] Remove DNPs from zero dnp sim --- examples/zero_dnps/emission_probability.csv | 6 +----- 1 file changed, 1 insertion(+), 5 deletions(-) diff --git a/examples/zero_dnps/emission_probability.csv b/examples/zero_dnps/emission_probability.csv index fb9bbe00..1005b38f 100644 --- a/examples/zero_dnps/emission_probability.csv +++ b/examples/zero_dnps/emission_probability.csv @@ -1,5 +1 @@ -Nuclide,emission probability,sigma emission probability,half_life,sigma half_life -Br87,0.026,0.0004,55.65,0.13 -I137,0.0714,0.0023,24.5,0.2 -Rb94,0.105,0.004,2.702,0.005 -As86,0.1248662982,1e-12,0.945,0.008 \ No newline at end of file +Nuclide,emission probability,sigma emission probability,half_life,sigma half_life \ No newline at end of file From c9df42a2e9e07af853e676b17af80c94a0225502 Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Wed, 11 Mar 2026 10:55:52 -0500 Subject: [PATCH 070/259] Update preprocessing defaults so it works with 0 DNPs --- mosden/preprocessing.py | 15 +++++++++++---- 1 file changed, 11 insertions(+), 4 deletions(-) diff --git a/mosden/preprocessing.py b/mosden/preprocessing.py index 461ae44e..f8b0997a 100644 --- a/mosden/preprocessing.py +++ b/mosden/preprocessing.py @@ -73,23 +73,30 @@ def _add_debug_dnps(self) -> None: if data_type == 'emission_probability': key = 'pn' target_key = 'emission probability' + possible_old_val = {'emission probability': 0.0, + 'sigma emission probability': 1e-12} elif data_type == 'half_life': key = 'half_life_s' target_key = 'half_life' + possible_old_val = {'half_life': 10, + 'sigma half_life': 1e-12} elif data_type == 'fission_yield': key = 'yield' target_key = 'CFY' + possible_old_val = {'CFY': 1, + 'sigma CFY': 1e-12} else: raise KeyError('Data type does not have a valid key') for nuc, nuc_data in self.debug_dnp_data.items(): debug_data = nuc_data[key] data = self._read_processed_data(data_type) - _, old_val = list(data.items())[0] + try: + _, old_val = list(data.items())[0] + except IndexError: + old_val = possible_old_val + data[nuc] = dict() - if type(old_val) is float: - data[nuc] = debug_data - continue for keys_needed, vals_used in old_val.items(): if keys_needed == target_key: From 00562a81a4ff0ad54b726f8bc8d05d5ccae04e3f Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Mon, 16 Mar 2026 11:12:56 -0500 Subject: [PATCH 071/259] Fix bug in solver due to not using initial timestep for intermediate --- mosden/base.py | 5 +++-- mosden/concentrations.py | 5 ++--- mosden/countrate.py | 2 +- tests/unit/test_groupfit.py | 19 +++++++++++++++++++ 4 files changed, 25 insertions(+), 6 deletions(-) diff --git a/mosden/base.py b/mosden/base.py index 617c47fc..a7ba8777 100644 --- a/mosden/base.py +++ b/mosden/base.py @@ -292,7 +292,7 @@ def _get_times_and_rates(self, f_in: float = 1.0) -> dict[str, list[float|int]]: timesteps[-1] = timesteps[-1] - diff decay_time_steps = np.diff(self.decay_times, prepend=[0.0]) - for t in decay_time_steps: + for t in decay_time_steps[1:]: timesteps.append(t) source_rates.append(0) @@ -324,7 +324,8 @@ def _set_decay_times(self) -> np.ndarray[float]: 0, self.decay_time, self.num_times) elif self.decay_time_spacing == 'log': self.decay_times: np.ndarray = np.geomspace( - 1e-2, self.decay_time, self.num_times) + 1e-2, self.decay_time, self.num_times-1) + self.decay_times = np.append([0], self.decay_times) else: raise ValueError( f"Decay time spacing '{self.decay_time_spacing}' not supported.") diff --git a/mosden/concentrations.py b/mosden/concentrations.py index ec647c36..ecf6b578 100644 --- a/mosden/concentrations.py +++ b/mosden/concentrations.py @@ -153,11 +153,10 @@ def _evaluate_conc(self, cur_conc: float, cur_p_conc: float, lam_p: float, lam: else: fission_source = fission_rates[ti] * y * dt[ti] - B = lam_p * p_concs[ti] if abs(lam - lam_p) > 1e-10: - feed_term = (B / (lam - lam_p)) * (exp_p - exp_c) + feed_term = (lam_p * p_concs[ti] / (lam - lam_p)) * (exp_p - exp_c) else: - feed_term = B * dt[ti] * exp_c + feed_term = lam_p * p_concs[ti] * dt[ti] * exp_c cur_conc = concs[ti] * exp_c + fission_source + feed_term return cur_conc, cur_p_conc diff --git a/mosden/countrate.py b/mosden/countrate.py index ee173665..6950bbe6 100644 --- a/mosden/countrate.py +++ b/mosden/countrate.py @@ -254,7 +254,7 @@ def sample_parameter(val: ufloat, dist: str) -> float: unumpy.exp(-decay_const * use_times) else: if self.post_irrad_only: - index_offset = post_irrad_index + 1 + index_offset = post_irrad_index else: index_offset = 0 if self.no_post_irrad: diff --git a/tests/unit/test_groupfit.py b/tests/unit/test_groupfit.py index 81d741d3..4c3aa8f6 100644 --- a/tests/unit/test_groupfit.py +++ b/tests/unit/test_groupfit.py @@ -451,3 +451,22 @@ def test_get_mod_counts(): fit_irrad = grouper._get_irrad_counts(irrad_times, parameters) expected_counts = lam_val * (yield_val / lam_val * (1 - np.exp(-lam_val * irrad_times))) assert np.allclose(fit_irrad[1:], expected_counts[:-1]), "Fit error" + +def test_restructure_intermediate_yields_offsets(): + input_path = './tests/unit/input/input.json' + grouper = Grouper(input_path) + grouper.num_groups = 1 + grouper.irrad_type = 'intermediate' + grouper.t_net = 1e-6 + grouper.fission_times = np.array([0.0, 1e-6]) + grouper.full_fission_term = np.array([9900.61988839969]) + lam_val = np.log(2) / 10 + + fiss_component = grouper._get_effective_fission(np.asarray([lam_val]), np.exp, np.expm1) + scaled_param = (9900.61988839969 * 1e-6 * lam_val) + assert np.isclose(fiss_component, scaled_param) + + params = np.array([scaled_param, 10.0]) + + actual = grouper._restructure_intermediate_yields(params, to_yield=True) + assert np.isclose(actual[0], 1.0, rtol=1e-6) From 12a6995b06cbe6e56e0c6befa494d3f7b8e77b9a Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Mon, 16 Mar 2026 11:16:40 -0500 Subject: [PATCH 072/259] Update tests to account for 0 time step --- .../test-data/reference/test6/count_rate.csv | 1598 ++++++++--------- .../reference/test6/group_parameters.csv | 12 +- .../test-data/reference/test7/count_rate.csv | 196 +- .../reference/test7/group_parameters.csv | 12 +- .../test-data/reference/test8/count_rate.csv | 196 +- .../reference/test8/group_parameters.csv | 12 +- 6 files changed, 1013 insertions(+), 1013 deletions(-) diff --git a/tests/integration/test-data/reference/test6/count_rate.csv b/tests/integration/test-data/reference/test6/count_rate.csv index 3a0f12cf..733b1a87 100644 --- 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b/tests/integration/test-data/reference/test6/group_parameters.csv @@ -1,7 +1,7 @@ yield,sigma yield,half_life,sigma half_life -0.000516288552773315,0.0,55.6246863333297,0.0 -0.002864234651780247,0.0,23.84743300415373,0.0 -0.0014471493857976365,0.0,11.894997207991247,0.0 -0.006216741075927622,0.0,3.341171627137288,0.0 -0.006380801289980143,0.0,1.197661180970348,0.0 -0.005089895023153451,0.0,0.2517449530369499,0.0 +0.0005162901534403848,0.0,55.62467042504896,0.0 +0.002864501770157952,0.0,23.846979482961842,0.0 +0.001447419836816959,0.0,11.891823735756953,0.0 +0.0062191783496551,0.0,3.3402202687250897,0.0 +0.00637942325083527,0.0,1.1970997068732543,0.0 +0.005088589180538686,0.0,0.2516584132386145,0.0 diff --git a/tests/integration/test-data/reference/test7/count_rate.csv b/tests/integration/test-data/reference/test7/count_rate.csv index b471d933..61a61677 100644 --- a/tests/integration/test-data/reference/test7/count_rate.csv +++ 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a/tests/integration/test-data/reference/test7/group_parameters.csv b/tests/integration/test-data/reference/test7/group_parameters.csv index 8f2de0f2..6ed2e735 100644 --- a/tests/integration/test-data/reference/test7/group_parameters.csv +++ b/tests/integration/test-data/reference/test7/group_parameters.csv @@ -1,7 +1,7 @@ yield,sigma yield,half_life,sigma half_life -0.06541039711796885,0.0,100.00098666711425,0.0 -0.00019525244600475917,0.0,99.67367191563196,0.0 -4.446696618611242e-07,0.0,95.86851467152195,0.0 -7.665191888505694e-10,0.0,89.46022216163458,0.0 -0.0005084902951546429,0.0,55.639218138715236,0.0 -8.067227523321234e-38,0.0,0.009393408482036661,0.0 +0.0027670938277992644,0.0,100.00032226230205,0.0 +0.001808229833297253,0.0,100.00001124656504,0.0 +0.025115593337016472,0.0,99.99998928068548,0.0 +0.03686459857536383,0.0,99.99998256174113,0.0 +0.00048066432466817093,0.0,55.63999999155181,0.0 +1.969188540775993e-34,0.0,0.015742210441099858,0.0 diff --git a/tests/integration/test-data/reference/test8/count_rate.csv b/tests/integration/test-data/reference/test8/count_rate.csv index 9e810838..99c0b570 100644 --- a/tests/integration/test-data/reference/test8/count_rate.csv +++ b/tests/integration/test-data/reference/test8/count_rate.csv @@ -1,101 +1,101 @@ times,counts,sigma counts +0.0,0.0007027039555853151,1.469401486730505e-05 0.01,0.0007026412021023797,1.469235676994104e-05 -0.011175427721506885,0.0007026338262846562,1.469216188542235e-05 -0.012489018475862458,0.0007026255835925819,1.469194409683331e-05 -0.013957012328956499,0.0007026163721561593,1.4691700712761485e-05 -0.015597558249043391,0.0007026060781374849,1.4691428725636325e-05 -0.01743093848441779,0.0007025945743255459,1.4691124774616348e-05 -0.01947981931506438,0.000702581718566227,1.4690785104126196e-05 -0.021769531278351576,0.0007025673520082537,1.4690405517535377e-05 -0.024328382333230144,0.0007025512971435559,1.4689981325411347e-05 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+273.4353957130727,7.582469270776139e-05,8.665280489609955e-07 +305.92247058674235,5.9430088236782266e-05,6.423698793842716e-07 +342.2693604309474,4.53990629007334e-05,4.6371557069385847e-07 +382.93465290446164,3.370478652863492e-05,3.2547507054699597e-07 +428.43142082723796,2.4239065150307356e-05,2.217297025801172e-07 +479.33369560534453,1.6822107708864454e-05,1.4629429396944861e-07 +536.283709768632,1.1217603230751181e-05,9.321591913990451e-08 600.0,7.151781436787678e-06,5.7142392889065265e-08 diff --git a/tests/integration/test-data/reference/test8/group_parameters.csv b/tests/integration/test-data/reference/test8/group_parameters.csv index 1fb4f5b2..3efc07d9 100644 --- a/tests/integration/test-data/reference/test8/group_parameters.csv +++ b/tests/integration/test-data/reference/test8/group_parameters.csv @@ -1,7 +1,7 @@ yield,sigma yield,half_life,sigma half_life -8.54338671470289e-29,0.0,694.5739058179059,0.0 -0.0009100395326791619,0.0,100.00000000001084,0.0 -0.00048066432498617556,0.0,55.639999999994174,0.0 -2.523299489290338e-13,0.0,0.001076082740227141,0.0 -5.690848480243718e-13,0.0,0.001000000010637043,0.0 -9.239938492387848e-14,0.0,0.0010000000023211934,0.0 +0.0009100395326769202,0.0,100.0000000000649,0.0 +0.0004806643249881117,0.0,55.640000000124424,0.0 +9.354688200402845e-18,0.0,33.65085319140761,0.0 +2.28638860356823e-16,0.0,6.524085750903932,0.0 +5.762666889603597e-16,0.0,0.005541487043934733,0.0 +2.4613834619908486e-15,0.0,0.0010996695518215283,0.0 From 009820711e48b7e21c673487f05e2d89314d7669 Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Mon, 16 Mar 2026 15:15:28 -0500 Subject: [PATCH 073/259] Rename min to max timestep --- examples/four_dnps/input.json | 10 +++++----- examples/high_fidelity/input.json | 19 +++++++++++++++---- examples/zero_dnps/input.json | 16 ++++++++-------- mosden/base.py | 10 +++++----- mosden/templates/input_schema.json | 4 ++-- mosden/utils/defaults.py | 2 +- tests/unit/test_base.py | 20 ++++++++++---------- tests/unit/test_groupfit.py | 4 ++-- 8 files changed, 48 insertions(+), 37 deletions(-) diff --git a/examples/four_dnps/input.json b/examples/four_dnps/input.json index 005a02b6..c7b4dded 100644 --- a/examples/four_dnps/input.json +++ b/examples/four_dnps/input.json @@ -28,7 +28,7 @@ "modeling_options": { "concentration_handling": "OMC", "count_rate_handling": "data", - "residual_handling": ["all"], + "residual_handling": ["post-irrad"], "reprocessing_locations": ["excore"], "reprocessing": { "Xe": 0.0 @@ -39,11 +39,11 @@ "reprocessing": false }, "base_removal_scaling": 0.5, - "incore_s": 0.5, + "incore_s": 0.000001, "excore_s": 0, - "net_irrad_s": 5, + "net_irrad_s": 0.00001, "decay_time": 600, - "num_decay_times": 100, + "num_decay_times": 10, "openmc_settings": { "nps": 5000, "batches": 10, @@ -51,7 +51,7 @@ "run_omc": true, "write_fission_json": true, "write_nuyield_json": true, - "min_timestep": 1e10 + "max_timestep": 1e10 } }, "group_options": { diff --git a/examples/high_fidelity/input.json b/examples/high_fidelity/input.json index 05ad979d..f80515ad 100644 --- a/examples/high_fidelity/input.json +++ b/examples/high_fidelity/input.json @@ -23,6 +23,17 @@ "energy_MeV": 0.0253e-6, "fissile_fractions": { "U235": 1.0 + }, + "debug_dnps": { + "Zz99": { + "yield": 1.0, + "half_life_s": 10, + "pn": 1, + "parent": { + "yield": 0.000, + "half_life_s": 10 + } + } } }, "modeling_options": { @@ -39,9 +50,9 @@ "reprocessing": false }, "base_removal_scaling": 0.5, - "incore_s": 5, - "excore_s": 2, - "net_irrad_s": 30, + "incore_s": 50, + "excore_s": 0, + "net_irrad_s": 5000, "decay_time": 600, "num_decay_times": 100, "openmc_settings": { @@ -51,7 +62,7 @@ "run_omc": true, "write_fission_json": true, "write_nuyield_json": true, - "min_timestep": 1e10 + "max_timestep": 1e10 } }, "group_options": { diff --git a/examples/zero_dnps/input.json b/examples/zero_dnps/input.json index 8a226719..24c70593 100644 --- a/examples/zero_dnps/input.json +++ b/examples/zero_dnps/input.json @@ -26,12 +26,12 @@ }, "debug_dnps": { "Zz99": { - "yield": 1.0, - "half_life_s": 10, + "yield": 0.5, + "half_life_s": 3, "pn": 1, "parent": { - "yield": 0.000, - "half_life_s": 10 + "yield": 0.5, + "half_life_s": 0.3 } } } @@ -50,19 +50,19 @@ "reprocessing": false }, "base_removal_scaling": 0.5, - "incore_s": 0.000001, + "incore_s": 1e-6, "excore_s": 0, - "net_irrad_s": 0.00001, + "net_irrad_s": 1e-5, "decay_time": 600, "num_decay_times": 100, "openmc_settings": { "nps": 5000, "batches": 10, - "source": 1e3, + "source": 1.18e4, "run_omc": true, "write_fission_json": true, "write_nuyield_json": true, - "min_timestep": 1e10 + "max_timestep": 1e10 } }, "group_options": { diff --git a/mosden/base.py b/mosden/base.py index a7ba8777..2c7fc9fb 100644 --- a/mosden/base.py +++ b/mosden/base.py @@ -215,12 +215,12 @@ def _set_cycle_times(self, residence_time: float) -> list[float]: values : list[float] List of times to pass to OpenMC per residence """ - min_value = np.min((self.openmc_settings['min_timestep'], residence_time)) - if min_value == 0.0: + max_value = np.min((self.openmc_settings['max_timestep'], residence_time)) + if max_value == 0.0: return [] - min_cycles = int(np.floor(residence_time/min_value)) - remainder = residence_time - min_cycles * min_value - values = [min_value] * min_cycles + [remainder] + min_cycles = int(np.floor(residence_time/max_value)) + remainder = residence_time - min_cycles * max_value + values = [max_value] * min_cycles + [remainder] if np.isclose(values[-1], 0.0): values = values[:-1] return values diff --git a/mosden/templates/input_schema.json b/mosden/templates/input_schema.json index 885c3d52..8cce33c1 100644 --- a/mosden/templates/input_schema.json +++ b/mosden/templates/input_schema.json @@ -302,9 +302,9 @@ "type": "boolean", "description": "Whether or not to write the delayed neutron yield output to a JSON file" }, - "min_timestep": { + "max_timestep": { "type": "number", - "description": "The minimum time step size to use in OpenMC" + "description": "The maximum time step size to use in OpenMC" } } } diff --git a/mosden/utils/defaults.py b/mosden/utils/defaults.py index b40da257..ab0a89bd 100644 --- a/mosden/utils/defaults.py +++ b/mosden/utils/defaults.py @@ -71,7 +71,7 @@ "run_omc": True, "write_fission_json": True, "write_nuyield_json": True, - "min_timestep": 1e10 + "max_timestep": 1e10 } }, "group_options": { diff --git a/tests/unit/test_base.py b/tests/unit/test_base.py index 90c1eae2..9a6303d5 100644 --- a/tests/unit/test_base.py +++ b/tests/unit/test_base.py @@ -38,14 +38,14 @@ def test_get_irrad_index_with_min_time(): index = base.get_irrad_index(False) assert index == 3 - base.openmc_settings['min_timestep'] = 1 + base.openmc_settings['max_timestep'] = 1 index = base.get_irrad_index(False) assert index == 5 base.t_net = 30 base.t_in = 1 base.t_ex = 0 - base.openmc_settings['min_timestep'] = 0.25 + base.openmc_settings['max_timestep'] = 0.25 index = base.get_irrad_index(False) assert index == 120 @@ -67,11 +67,11 @@ def test_irrad_and_update(): base.t_net = 10 base.t_in = 5 base.t_ex = 5 - base.openmc_settings['min_timestep'] = 1e10 + base.openmc_settings['max_timestep'] = 1e10 assert base.t_in == 5 assert base.t_ex == 5 assert base.t_net == 10 - assert base.openmc_settings['min_timestep'] > 5 + assert base.openmc_settings['max_timestep'] > 5 index = base.get_irrad_index(False) assert index == 2 @@ -132,14 +132,14 @@ def test_times_rates_mask(): base.t_in = 1 base.t_ex = 1 base.t_net = 10 - base.openmc_settings['min_timestep'] = 1e10 + base.openmc_settings['max_timestep'] = 1e10 base.flux_scaling = False assert not base.flux_scaling data = base._get_times_and_rates() assert base.t_in == 1 assert base.t_ex == 1 assert base.t_net == 10 - assert base.openmc_settings['min_timestep'] > 1 + assert base.openmc_settings['max_timestep'] > 1 assert base._set_cycle_times(1) == [1] assert data['timesteps'][:10] == [1]*10 @@ -184,21 +184,21 @@ def test_times_rates_mask(): def test_openmc_time_setting(): input_path = './tests/unit/input/input.json' base = BaseClass(input_path) - base.openmc_settings['min_timestep'] = 1 + base.openmc_settings['max_timestep'] = 1 base.t_in = 1 base.t_ex = 1 base.t_net = 5 in_vals = base._set_cycle_times(base.t_in) assert np.allclose(in_vals, [1]) - base.openmc_settings['min_timestep'] = 0.5 + base.openmc_settings['max_timestep'] = 0.5 in_vals = base._set_cycle_times(base.t_in) assert np.allclose(in_vals, [0.5, 0.5]) - base.openmc_settings['min_timestep'] = 0.3 + base.openmc_settings['max_timestep'] = 0.3 in_vals = base._set_cycle_times(base.t_in) assert np.allclose(in_vals, [0.3, 0.3, 0.3, 0.1]) - base.openmc_settings['min_timestep'] = 1/3 + base.openmc_settings['max_timestep'] = 1/3 in_vals = base._set_cycle_times(base.t_in) assert np.allclose(in_vals, [1/3, 1/3, 1/3]) diff --git a/tests/unit/test_groupfit.py b/tests/unit/test_groupfit.py index 4c3aa8f6..da619a9b 100644 --- a/tests/unit/test_groupfit.py +++ b/tests/unit/test_groupfit.py @@ -424,7 +424,7 @@ def test_get_mod_counts(): grouper.residual_masks = 'all' grouper.post_irrad_only = False grouper.no_post_irrad = True - grouper.openmc_settings['min_timestep'] = 1e10 + grouper.openmc_settings['max_timestep'] = 1e10 grouper.full_fission_term = np.ones(len(irrad_times)) yield_val = 1 half_life = 10 @@ -433,7 +433,7 @@ def test_get_mod_counts(): lam_val = np.log(2)/half_life expected_counts = lam_val * (yield_val / lam_val * (1 - np.exp(-lam_val * irrad_times))) - assert grouper.openmc_settings['min_timestep'] == 1e10 + assert grouper.openmc_settings['max_timestep'] == 1e10 assert grouper.t_in == 1 assert grouper.t_ex == 0 assert grouper.t_net == 10 From 16fed6a1cd07b14835c3304b6553c24e68dba0f6 Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Mon, 16 Mar 2026 15:23:47 -0500 Subject: [PATCH 074/259] Clean up phd result generator --- examples/phd_results/input.json | 9 +++-- examples/phd_results/results_generator.py | 46 ++++++++++++++--------- mosden/multipostprocessing.py | 10 ++++- 3 files changed, 42 insertions(+), 23 deletions(-) diff --git a/examples/phd_results/input.json b/examples/phd_results/input.json index c616a89d..dc64632f 100644 --- a/examples/phd_results/input.json +++ b/examples/phd_results/input.json @@ -33,15 +33,15 @@ "reprocessing": { "Xe": 0.0 }, - "irrad_type": "saturation", + "irrad_type": "intermediate", "spatial_scaling": { "flux": false, "reprocessing": false }, "base_removal_scaling": 0.5, - "incore_s": 0.3, + "incore_s": 0.1, "excore_s": 0, - "net_irrad_s": 30, + "net_irrad_s": 10, "decay_time": 600, "num_decay_times": 100, "openmc_settings": { @@ -50,7 +50,8 @@ "source": 1e3, "run_omc": true, "write_fission_json": true, - "write_nuyield_json": true + "write_nuyield_json": true, + "max_timestep": 1e10 } }, "group_options": { diff --git a/examples/phd_results/results_generator.py b/examples/phd_results/results_generator.py index c41d1417..baddb5cf 100644 --- a/examples/phd_results/results_generator.py +++ b/examples/phd_results/results_generator.py @@ -17,8 +17,8 @@ residence_time_analysis = { 'meta': { 'name': name, - 'run_full': False, - 'run_post': False, + 'run_full': True, + 'run_post': True, 'overwrite': True, }, 'incore_s': [10, 20, 30], @@ -27,45 +27,57 @@ } analysis_list.append(residence_time_analysis) -name = 'OpenMC Particles' -nps_analysis = { +name = 'decay_time_nodes' +decay_times_analysis = { 'meta': { 'name': name, 'run_full': True, 'run_post': True, - 'overwrite': True, + 'overwrite': True }, - 'nps': [10, 100, 500, 1000, 5000], + 'num_decay_times': [50, 100, 150, 200, 250, 400, 800], 'multi_id': [name] } -analysis_list.append(nps_analysis) +analysis_list.append(decay_times_analysis) +name = 'irrad_time' +decay_times_analysis = { + 'meta': { + 'name': name, + 'run_full': True, + 'run_post': True, + 'overwrite': True + }, + 'net_irrad_s': [1, 10, 100], + 'multi_id': [name] +} +analysis_list.append(decay_times_analysis) -name = 'Decay Times' -decay_time_analysis = { +name = 'omc_timestep' +decay_times_analysis = { 'meta': { 'name': name, 'run_full': True, 'run_post': True, - 'overwrite': True, + 'overwrite': True }, - 'num_decay_times': [50, 100, 200, 400, 800], + 'max_timestep': [0.1, 0.05, 0.01, 0.005, 0.001], 'multi_id': [name] } -analysis_list.append(decay_time_analysis) +analysis_list.append(decay_times_analysis) -name = 'Decay Time' -decay_time_analysis = { +name = 'total_decay_time' +total_decay_analysis = { 'meta': { 'name': name, 'run_full': True, 'run_post': True, - 'overwrite': True, + 'overwrite': True }, - 'decay_times': [150, 300, 600, 1200, 2400, 4800], + 'decay_time': [150, 300, 600, 1200, 2400, 4800], 'multi_id': [name] } -analysis_list.append(decay_time_analysis) +analysis_list.append(total_decay_analysis) def replace_value(input_data: dict, key: str, new_val: str|float|int) -> bool: diff --git a/mosden/multipostprocessing.py b/mosden/multipostprocessing.py index eb9d0fb2..34e32944 100644 --- a/mosden/multipostprocessing.py +++ b/mosden/multipostprocessing.py @@ -79,10 +79,16 @@ def _set_post_names(self): post.name = f'{post.num_decay_times} nodes' elif self._is_name('total_decay_time'): for post in self.posts: - post.name = f'T = {post.total_decay_time}s' + post.name = rf'$T_d$ = {post.total_decay_time}s' elif self._is_name('detailed_decay'): for post in self.posts: - post.name = f'T = {post.total_decay_time}s with {post.num_decay_times} nodes' + post.name = rf'$T_d$ = {post.total_decay_time}s with {post.num_decay_times} nodes' + elif self._is_name('irrad_time'): + for post in self.posts: + post.name = f'T = {post.net_irrad_s}' + elif self._is_name('omc_timestep'): + for post in self.posts: + post.name = rf'$\Delta t$ = {post.openmc_settings["max_timestep"]}' return None def _post_heatmap_setup(self) -> None: From 9a2d8d7ff9ff49e2d2177cfab21fbd3b8bfe6ffa Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Tue, 17 Mar 2026 09:58:38 -0500 Subject: [PATCH 075/259] Change min to max timestep --- mosden/base.py | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/mosden/base.py b/mosden/base.py index 2c7fc9fb..37e0be5a 100644 --- a/mosden/base.py +++ b/mosden/base.py @@ -364,8 +364,8 @@ def get_irrad_index(self, single_time_val: bool) -> int: if single_time_val: return 0 - in_use_time = np.min((self.openmc_settings['min_timestep'], self.t_in)) - ex_use_time = np.min((self.openmc_settings['min_timestep'], self.t_ex)) + in_use_time = np.min((self.openmc_settings['max_timestep'], self.t_in)) + ex_use_time = np.min((self.openmc_settings['max_timestep'], self.t_ex)) if self.t_in == 0 and self.t_ex != 0: ratio = self.t_net / ex_use_time From eed22f76636094c4be045ffd858463e862ef50d9 Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Tue, 17 Mar 2026 10:03:45 -0500 Subject: [PATCH 076/259] Update git ignore --- .gitignore | 8 +++++++- 1 file changed, 7 insertions(+), 1 deletion(-) diff --git a/.gitignore b/.gitignore index efc7e6de..69d8e632 100644 --- a/.gitignore +++ b/.gitignore @@ -172,7 +172,13 @@ cython_debug/ !/examples/**/input.json !/examples/**/*.py -/examples/phd_results/tintex/* +/examples/phd_results/* +!/examples/phd_results/input.json +!/examples/phd_results/results_generator.py +!/examples/phd_results/prk/input.json +!/examples/phd_results/prk/main.py +!/examples/phd_results/t_net_analysis/dataNet/* +!/examples/phd_results/t_net_analysis/analysis.py /examples/prelim_results/detailed_decay/* /examples/prelim_results/spacing_times/* From 41fac6cbb046e21c7546b41c704edb9cb56d83b1 Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Tue, 17 Mar 2026 12:30:21 -0500 Subject: [PATCH 077/259] Remove incorrect data --- .../dataNet/intermediate_0.001_all.csv | 7 ------- .../dataNet/intermediate_0.001_post.csv | 7 ------- .../t_net_analysis/dataNet/intermediate_0.01_all.csv | 7 ------- .../dataNet/intermediate_0.01_post.csv | 7 ------- .../t_net_analysis/dataNet/intermediate_0.1_all.csv | 7 ------- .../t_net_analysis/dataNet/intermediate_0.1_post.csv | 7 ------- .../t_net_analysis/dataNet/intermediate_10_all.csv | 12 ++++++------ .../t_net_analysis/dataNet/intermediate_10_post.csv | 12 ++++++------ .../t_net_analysis/dataNet/intermediate_1200_all.csv | 7 ------- .../dataNet/intermediate_1200_post.csv | 7 ------- .../t_net_analysis/dataNet/intermediate_120_all.csv | 7 ------- .../t_net_analysis/dataNet/intermediate_120_post.csv | 7 ------- .../t_net_analysis/dataNet/intermediate_1_all.csv | 7 ------- .../t_net_analysis/dataNet/intermediate_1_post.csv | 7 ------- .../t_net_analysis/dataNet/intermediate_2_all.csv | 7 ------- .../t_net_analysis/dataNet/intermediate_2_post.csv | 7 ------- .../t_net_analysis/dataNet/intermediate_30_all.csv | 7 ------- .../t_net_analysis/dataNet/intermediate_30_post.csv | 7 ------- .../t_net_analysis/dataNet/intermediate_3_all.csv | 7 ------- .../t_net_analysis/dataNet/intermediate_3_post.csv | 7 ------- .../t_net_analysis/dataNet/intermediate_4_all.csv | 7 ------- .../t_net_analysis/dataNet/intermediate_4_post.csv | 7 ------- .../t_net_analysis/dataNet/intermediate_5000_all.csv | 12 ++++++------ .../dataNet/intermediate_5000_post.csv | 12 ++++++------ .../t_net_analysis/dataNet/intermediate_5_all.csv | 7 ------- .../t_net_analysis/dataNet/intermediate_5_post.csv | 7 ------- .../t_net_analysis/dataNet/intermediate_600_all.csv | 7 ------- .../t_net_analysis/dataNet/intermediate_600_post.csv | 7 ------- .../t_net_analysis/dataNet/pulse_0.00001_all.csv | 7 ------- .../t_net_analysis/dataNet/pulse_0.00001_post.csv | 7 ------- .../dataNumSteps5s/intermediate_1000_all.csv | 7 ------- .../dataNumSteps5s/intermediate_1000_post.csv | 7 ------- .../dataNumSteps5s/intermediate_100_all.csv | 7 ------- .../dataNumSteps5s/intermediate_100_post.csv | 7 ------- .../dataNumSteps5s/intermediate_10_all.csv | 7 ------- .../dataNumSteps5s/intermediate_10_post.csv | 7 ------- .../dataNumSteps5s/intermediate_1_all.csv | 7 ------- .../dataNumSteps5s/intermediate_1_post.csv | 7 ------- .../dataNumSteps5s/intermediate_50_all.csv | 7 ------- .../dataNumSteps5s/intermediate_50_post.csv | 7 ------- .../dataNumSteps5s/intermediate_5_all.csv | 7 ------- .../dataNumSteps5s/intermediate_5_post.csv | 7 ------- 42 files changed, 24 insertions(+), 290 deletions(-) delete mode 100644 examples/phd_results/t_net_analysis/dataNet/intermediate_0.001_all.csv delete mode 100644 examples/phd_results/t_net_analysis/dataNet/intermediate_0.001_post.csv delete mode 100644 examples/phd_results/t_net_analysis/dataNet/intermediate_0.01_all.csv delete mode 100644 examples/phd_results/t_net_analysis/dataNet/intermediate_0.01_post.csv delete mode 100644 examples/phd_results/t_net_analysis/dataNet/intermediate_0.1_all.csv delete mode 100644 examples/phd_results/t_net_analysis/dataNet/intermediate_0.1_post.csv delete mode 100644 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a/examples/phd_results/t_net_analysis/dataNet/intermediate_0.001_all.csv b/examples/phd_results/t_net_analysis/dataNet/intermediate_0.001_all.csv deleted file mode 100644 index fe1c47e5..00000000 --- a/examples/phd_results/t_net_analysis/dataNet/intermediate_0.001_all.csv +++ /dev/null @@ -1,7 +0,0 @@ -yield,sigma yield,half_life,sigma half_life -0.0006499096769369495,0.0,54.22394242342692,0.0 -0.003612551633452274,0.0,20.712549679607605,0.0 -0.006976008391641474,0.0,3.3845073029727235,0.0 -0.005607032005514416,0.0,0.8201904585702068,0.0 -0.0018402138932761744,0.0,0.12620856467784933,0.0 -8.381311020611309e-06,0.0,0.0010000000000000002,0.0 diff --git a/examples/phd_results/t_net_analysis/dataNet/intermediate_0.001_post.csv b/examples/phd_results/t_net_analysis/dataNet/intermediate_0.001_post.csv deleted file mode 100644 index c2a91f06..00000000 --- a/examples/phd_results/t_net_analysis/dataNet/intermediate_0.001_post.csv +++ /dev/null @@ -1,7 +0,0 @@ -yield,sigma yield,half_life,sigma half_life -0.0006009856919977145,0.0,55.04748291105819,0.0 -0.0032551374913199435,0.0,22.133724839690096,0.0 -0.0032332651271008116,0.0,5.602973990360857,0.0 -0.006780884948189207,0.0,1.961760325227637,0.0 -0.00365763910509533,0.0,0.4698553892465339,0.0 -0.0011680076099961233,0.0,0.09534331347729975,0.0 diff --git a/examples/phd_results/t_net_analysis/dataNet/intermediate_0.01_all.csv b/examples/phd_results/t_net_analysis/dataNet/intermediate_0.01_all.csv deleted file mode 100644 index 5c812403..00000000 --- a/examples/phd_results/t_net_analysis/dataNet/intermediate_0.01_all.csv +++ /dev/null @@ -1,7 +0,0 @@ -yield,sigma yield,half_life,sigma half_life -0.0006485018518832016,0.0,54.2469856753461,0.0 -0.0036040603696307905,0.0,20.749027901277156,0.0 -0.006900010280872543,0.0,3.4150939273763403,0.0 -0.005632050428006963,0.0,0.8399619029265551,0.0 -0.0018971833873130657,0.0,0.13065211904843477,0.0 -2.4623215498992977e-05,0.0,0.0010000000000000002,0.0 diff --git a/examples/phd_results/t_net_analysis/dataNet/intermediate_0.01_post.csv b/examples/phd_results/t_net_analysis/dataNet/intermediate_0.01_post.csv deleted file mode 100644 index 951243d8..00000000 --- a/examples/phd_results/t_net_analysis/dataNet/intermediate_0.01_post.csv +++ /dev/null @@ -1,7 +0,0 @@ -yield,sigma yield,half_life,sigma half_life -0.0006008555876926074,0.0,55.04973097665621,0.0 -0.0032538616121506993,0.0,22.13821610446272,0.0 -0.003220838250943124,0.0,5.615787757111658,0.0 -0.00678174382603953,0.0,1.9667995273608267,0.0 -0.00366131834572984,0.0,0.4721474302593159,0.0 -0.00117658898775106,0.0,0.09601983117696204,0.0 diff --git a/examples/phd_results/t_net_analysis/dataNet/intermediate_0.1_all.csv b/examples/phd_results/t_net_analysis/dataNet/intermediate_0.1_all.csv deleted file mode 100644 index dc5fa92c..00000000 --- a/examples/phd_results/t_net_analysis/dataNet/intermediate_0.1_all.csv +++ /dev/null @@ -1,7 +0,0 @@ -yield,sigma yield,half_life,sigma half_life -0.0006453473469655309,0.0,54.298815148000386,0.0 -0.0035848091840109324,0.0,20.83134371204134,0.0 -0.006722002274506182,0.0,3.487324533092996,0.0 -0.005685382325368996,0.0,0.8872719240352288,0.0 -0.002019732218546167,0.0,0.14274090925701588,0.0 -0.00017298158522748038,0.0,0.0023762578890053655,0.0 diff --git a/examples/phd_results/t_net_analysis/dataNet/intermediate_0.1_post.csv b/examples/phd_results/t_net_analysis/dataNet/intermediate_0.1_post.csv deleted file mode 100644 index 2c7782c8..00000000 --- a/examples/phd_results/t_net_analysis/dataNet/intermediate_0.1_post.csv +++ /dev/null @@ -1,7 +0,0 @@ -yield,sigma yield,half_life,sigma half_life -0.000599786164298651,0.0,55.0682206693197,0.0 -0.003243239058797959,0.0,22.175399604072048,0.0 -0.0031186126524967495,0.0,5.724229027857738,0.0 -0.006786074919922997,0.0,2.0090780583378023,0.0 -0.0036899531367383153,0.0,0.4919526840121775,0.0 -0.0012493498153551366,0.0,0.10209310785234799,0.0 diff --git a/examples/phd_results/t_net_analysis/dataNet/intermediate_10_all.csv b/examples/phd_results/t_net_analysis/dataNet/intermediate_10_all.csv index f72d9abb..57d44509 100644 --- a/examples/phd_results/t_net_analysis/dataNet/intermediate_10_all.csv +++ b/examples/phd_results/t_net_analysis/dataNet/intermediate_10_all.csv @@ -1,7 +1,7 @@ yield,sigma yield,half_life,sigma half_life -0.0005907204232151493,0.0,55.22732091610048,0.0 -0.0031441874956869907,0.0,22.507083381283604,0.0 -0.0023844142629210387,0.0,6.813397911113515,0.0 -0.007363485845659069,0.0,2.275850551991717,0.0 -0.003648168543292984,0.0,0.5128876443699149,0.0 -0.0018097847340523881,0.0,0.04321723401443949,0.0 +0.000590657042474172,0.0,55.22855914277848,0.0 +0.003143630024285896,0.0,22.50906241870279,0.0 +0.002381745113846482,0.0,6.819401375171663,0.0 +0.007370522187930403,0.0,2.2763731423163236,0.0 +0.003644299325152716,0.0,0.5119327097328897,0.0 +0.00181196679425562,0.0,0.04260770816604993,0.0 diff --git a/examples/phd_results/t_net_analysis/dataNet/intermediate_10_post.csv b/examples/phd_results/t_net_analysis/dataNet/intermediate_10_post.csv index 017629fa..766da00e 100644 --- a/examples/phd_results/t_net_analysis/dataNet/intermediate_10_post.csv +++ b/examples/phd_results/t_net_analysis/dataNet/intermediate_10_post.csv @@ -1,7 +1,7 @@ yield,sigma yield,half_life,sigma half_life -0.0005870792293887829,0.0,55.289964797259024,0.0 -0.0030914678800217877,0.0,22.664616628706085,0.0 -0.0019688681906939974,0.0,7.588589786446466,0.0 -0.0064391555780816435,0.0,2.6414443366188616,0.0 -0.004439267410030921,0.0,0.799903764420208,0.0 -0.002129293201117738,0.0,0.15793294095181293,0.0 +0.0005871835779444647,0.0,55.28829353296257,0.0 +0.003093321810460667,0.0,22.659376804549193,0.0 +0.001980090377016196,0.0,7.5618884984067165,0.0 +0.006455245259384976,0.0,2.631845502166193,0.0 +0.004435937727030305,0.0,0.7925264492900274,0.0 +0.0021082086790258654,0.0,0.15561858787854457,0.0 diff --git a/examples/phd_results/t_net_analysis/dataNet/intermediate_1200_all.csv b/examples/phd_results/t_net_analysis/dataNet/intermediate_1200_all.csv deleted file mode 100644 index fd0b4219..00000000 --- a/examples/phd_results/t_net_analysis/dataNet/intermediate_1200_all.csv +++ /dev/null @@ -1,7 +0,0 @@ -yield,sigma yield,half_life,sigma half_life -0.0005777758000447569,0.0,55.46726307784736,0.0 -0.003014070646221825,0.0,22.957807948589082,0.0 -0.0019990809244505086,0.0,8.082141089792003,0.0 -0.007049954476460081,0.0,2.5368445835126616,0.0 -0.004374995284528601,0.0,0.6583272534405827,0.0 -0.0016872648060187287,0.0,0.12172020526783002,0.0 diff --git a/examples/phd_results/t_net_analysis/dataNet/intermediate_1200_post.csv b/examples/phd_results/t_net_analysis/dataNet/intermediate_1200_post.csv deleted file mode 100644 index 35a9eed0..00000000 --- a/examples/phd_results/t_net_analysis/dataNet/intermediate_1200_post.csv +++ /dev/null @@ -1,7 +0,0 @@ -yield,sigma yield,half_life,sigma half_life -0.0005771080885334702,0.0,55.47761168843076,0.0 -0.0029960421406315875,0.0,23.003189274421793,0.0 -0.0019012565373335876,0.0,8.35620831202458,0.0 -0.006926863411307543,0.0,2.620276032784385,0.0 -0.004412697914806575,0.0,0.7121766849123173,0.0 -0.0018531329736106751,0.0,0.1389026704379304,0.0 diff --git a/examples/phd_results/t_net_analysis/dataNet/intermediate_120_all.csv b/examples/phd_results/t_net_analysis/dataNet/intermediate_120_all.csv deleted file mode 100644 index 317d8661..00000000 --- a/examples/phd_results/t_net_analysis/dataNet/intermediate_120_all.csv +++ /dev/null @@ -1,7 +0,0 @@ -yield,sigma yield,half_life,sigma half_life -0.0005823400215057117,0.0,55.38630382837625,0.0 -0.0030897459200327363,0.0,22.743864037034047,0.0 -0.0023312673910747105,0.0,7.260463540180148,0.0 -0.007188639984811037,0.0,2.281422548703631,0.0 -0.005299839054028378,0.0,0.37494942046447,0.0 -0.0003861811628406449,0.0,0.011808495575342024,0.0 diff --git a/examples/phd_results/t_net_analysis/dataNet/intermediate_120_post.csv b/examples/phd_results/t_net_analysis/dataNet/intermediate_120_post.csv deleted file mode 100644 index 07b3a8fd..00000000 --- a/examples/phd_results/t_net_analysis/dataNet/intermediate_120_post.csv +++ /dev/null @@ -1,7 +0,0 @@ -yield,sigma yield,half_life,sigma half_life -0.0005767048630914441,0.0,55.477220312818744,0.0 -0.0029564455268097263,0.0,23.089996196122005,0.0 -0.0017864532832818157,0.0,8.839865917748451,0.0 -0.006860686320503778,0.0,2.7158202487143988,0.0 -0.004538628126891252,0.0,0.750955358584509,0.0 -0.0019453670322669935,0.0,0.1444922641142176,0.0 diff --git a/examples/phd_results/t_net_analysis/dataNet/intermediate_1_all.csv b/examples/phd_results/t_net_analysis/dataNet/intermediate_1_all.csv deleted file mode 100644 index 437b7dd3..00000000 --- a/examples/phd_results/t_net_analysis/dataNet/intermediate_1_all.csv +++ /dev/null @@ -1,7 +0,0 @@ -yield,sigma yield,half_life,sigma half_life -0.0006086262937084633,0.0,54.91640504645117,0.0 -0.0033250707126951905,0.0,21.87971705687883,0.0 -0.003949574576303563,0.0,4.970151056033985,0.0 -0.0066446222836115,0.0,1.6991109207325052,0.0 -0.003570886091169657,0.0,0.35787759324900703,0.0 -0.0012549488909106414,0.0,0.015288249158700713,0.0 diff --git a/examples/phd_results/t_net_analysis/dataNet/intermediate_1_post.csv b/examples/phd_results/t_net_analysis/dataNet/intermediate_1_post.csv deleted file mode 100644 index 5d00a83c..00000000 --- a/examples/phd_results/t_net_analysis/dataNet/intermediate_1_post.csv +++ /dev/null @@ -1,7 +0,0 @@ -yield,sigma yield,half_life,sigma half_life -0.0005958154458226755,0.0,55.13710442225809,0.0 -0.003201467002514021,0.0,22.317924063808807,0.0 -0.002739069631935949,0.0,6.182045540269402,0.0 -0.006746951485608541,0.0,2.182126582675833,0.0 -0.003776253848630239,0.0,0.5845317036745138,0.0 -0.0016138318005039574,0.0,0.1289300613718118,0.0 diff --git a/examples/phd_results/t_net_analysis/dataNet/intermediate_2_all.csv b/examples/phd_results/t_net_analysis/dataNet/intermediate_2_all.csv deleted file mode 100644 index e6e98d69..00000000 --- a/examples/phd_results/t_net_analysis/dataNet/intermediate_2_all.csv +++ /dev/null @@ -1,7 +0,0 @@ -yield,sigma yield,half_life,sigma half_life -0.0006263892162067747,0.0,54.61523783342842,0.0 -0.003461351085999831,0.0,21.346359447850258,0.0 -0.005463035391559748,0.0,4.053420132372419,0.0 -0.006225119025448004,0.0,1.2253311135018417,0.0 -0.0028132840954583683,0.0,0.19840416473769726,0.0 -0.0010237354709824056,0.0,0.004263335271984507,0.0 diff --git a/examples/phd_results/t_net_analysis/dataNet/intermediate_2_post.csv b/examples/phd_results/t_net_analysis/dataNet/intermediate_2_post.csv deleted file mode 100644 index 5b0cdf1b..00000000 --- a/examples/phd_results/t_net_analysis/dataNet/intermediate_2_post.csv +++ /dev/null @@ -1,7 +0,0 @@ -yield,sigma yield,half_life,sigma half_life -0.0005938318006019015,0.0,55.17167215796692,0.0 -0.003178993193604193,0.0,22.392115022438382,0.0 -0.002551465382412492,0.0,6.448980277194463,0.0 -0.006687916480591118,0.0,2.279717171213451,0.0 -0.0038488166863012503,0.0,0.641530422099903,0.0 -0.0018012500083226714,0.0,0.1395154918970284,0.0 diff --git a/examples/phd_results/t_net_analysis/dataNet/intermediate_30_all.csv b/examples/phd_results/t_net_analysis/dataNet/intermediate_30_all.csv deleted file mode 100644 index d25ec2e0..00000000 --- a/examples/phd_results/t_net_analysis/dataNet/intermediate_30_all.csv +++ /dev/null @@ -1,7 +0,0 @@ -yield,sigma yield,half_life,sigma half_life -0.0005911850193901523,0.0,55.22393043614616,0.0 -0.003163109413726762,0.0,22.46245897522971,0.0 -0.0028222439571752517,0.0,6.349704456768178,0.0 -0.007080343614618728,0.0,2.0901662589500822,0.0 -0.004831262210233585,0.0,0.35113048748943776,0.0 -0.0007442719988219486,0.0,0.0062679624222023445,0.0 diff --git a/examples/phd_results/t_net_analysis/dataNet/intermediate_30_post.csv b/examples/phd_results/t_net_analysis/dataNet/intermediate_30_post.csv deleted file mode 100644 index e305bd37..00000000 --- a/examples/phd_results/t_net_analysis/dataNet/intermediate_30_post.csv +++ /dev/null @@ -1,7 +0,0 @@ -yield,sigma yield,half_life,sigma half_life -0.0005811024743039744,0.0,55.39526601544824,0.0 -0.002996173853064892,0.0,22.937958196181093,0.0 -0.0016607510618795024,0.0,8.78676461612742,0.0 -0.0065818428022054246,0.0,2.8330939407621774,0.0 -0.0046993321437068525,0.0,0.8258084004380751,0.0 -0.002138155087000719,0.0,0.157340620909389,0.0 diff --git a/examples/phd_results/t_net_analysis/dataNet/intermediate_3_all.csv b/examples/phd_results/t_net_analysis/dataNet/intermediate_3_all.csv deleted file mode 100644 index 014a8d0c..00000000 --- a/examples/phd_results/t_net_analysis/dataNet/intermediate_3_all.csv +++ /dev/null @@ -1,7 +0,0 @@ -yield,sigma yield,half_life,sigma half_life -0.0006188858643760996,0.0,54.742546658750584,0.0 -0.0034075733491696794,0.0,21.562579701225726,0.0 -0.0048909808497902,0.0,4.365341577673077,0.0 -0.0066001300771524425,0.0,1.374740027500838,0.0 -0.003146833501667833,0.0,0.19276381383953434,0.0 -0.0009984691598396826,0.0,0.0022472902205434263,0.0 diff --git a/examples/phd_results/t_net_analysis/dataNet/intermediate_3_post.csv b/examples/phd_results/t_net_analysis/dataNet/intermediate_3_post.csv deleted file mode 100644 index 73ccc12e..00000000 --- a/examples/phd_results/t_net_analysis/dataNet/intermediate_3_post.csv +++ /dev/null @@ -1,7 +0,0 @@ -yield,sigma yield,half_life,sigma half_life -0.0005920974849588064,0.0,55.20197603287414,0.0 -0.003158291408853417,0.0,22.458901690967924,0.0 -0.0023908047135946385,0.0,6.706526714901117,0.0 -0.0066181346070878985,0.0,2.370875249808899,0.0 -0.003969532986168156,0.0,0.6917857850932042,0.0 -0.001923344322672401,0.0,0.1463294252893909,0.0 diff --git a/examples/phd_results/t_net_analysis/dataNet/intermediate_4_all.csv b/examples/phd_results/t_net_analysis/dataNet/intermediate_4_all.csv deleted file mode 100644 index 233448c7..00000000 --- a/examples/phd_results/t_net_analysis/dataNet/intermediate_4_all.csv +++ /dev/null @@ -1,7 +0,0 @@ -yield,sigma yield,half_life,sigma half_life -0.0006128170829504414,0.0,54.846004003273706,0.0 -0.0033607800074906225,0.0,21.74529226799735,0.0 -0.0043790713188775685,0.0,4.682629795900243,0.0 -0.006809123979373981,0.0,1.52674840336516,0.0 -0.0034690074340597496,0.0,0.22246950402019913,0.0 -0.0011326338446230708,0.0,0.002582898398175469,0.0 diff --git a/examples/phd_results/t_net_analysis/dataNet/intermediate_4_post.csv b/examples/phd_results/t_net_analysis/dataNet/intermediate_4_post.csv deleted file mode 100644 index a79a8b1f..00000000 --- a/examples/phd_results/t_net_analysis/dataNet/intermediate_4_post.csv +++ /dev/null @@ -1,7 +0,0 @@ -yield,sigma yield,half_life,sigma half_life -0.0005913451669565439,0.0,55.21514052814437,0.0 -0.003148967018047109,0.0,22.488497265861213,0.0 -0.002322649109552858,0.0,6.825749901184098,0.0 -0.0065848230820852015,0.0,2.411759446983226,0.0 -0.004036181844800443,0.0,0.71253927043821,0.0 -0.001968557919406881,0.0,0.14896036242025062,0.0 diff --git a/examples/phd_results/t_net_analysis/dataNet/intermediate_5000_all.csv b/examples/phd_results/t_net_analysis/dataNet/intermediate_5000_all.csv index dd99a6eb..46ed28e9 100644 --- a/examples/phd_results/t_net_analysis/dataNet/intermediate_5000_all.csv +++ b/examples/phd_results/t_net_analysis/dataNet/intermediate_5000_all.csv @@ -1,7 +1,7 @@ yield,sigma yield,half_life,sigma half_life -0.0005720720872390899,0.0,55.55682831326315,0.0 -0.002830528099989927,0.0,23.38945677656511,0.0 -0.0014067311232208997,0.0,10.67381373520948,0.0 -0.005703624723978119,0.0,3.278896575815644,0.0 -0.005712734311083684,0.0,1.0504288768395829,0.0 -0.002479106453519196,0.0,0.16289560229757322,0.0 +0.0005769432314149624,0.0,55.483560984400675,0.0 +0.0030079663084403396,0.0,22.98187064507782,0.0 +0.002007667290188075,0.0,8.104042456019306,0.0 +0.007062770248202484,0.0,2.532617709184425,0.0 +0.0043721490792248945,0.0,0.6551731827511815,0.0 +0.0016774940235978254,0.0,0.12075250452387626,0.0 diff --git a/examples/phd_results/t_net_analysis/dataNet/intermediate_5000_post.csv b/examples/phd_results/t_net_analysis/dataNet/intermediate_5000_post.csv index 64a1dd88..85ff325a 100644 --- a/examples/phd_results/t_net_analysis/dataNet/intermediate_5000_post.csv +++ b/examples/phd_results/t_net_analysis/dataNet/intermediate_5000_post.csv @@ -1,7 +1,7 @@ yield,sigma yield,half_life,sigma half_life -0.0005762565600353954,0.0,55.4939659618683,0.0 -0.002988222570130418,0.0,23.031007268968427,0.0 -0.001887721237426173,0.0,8.431971951659571,0.0 -0.006925952785121379,0.0,2.6315263361703396,0.0 -0.004428071271774303,0.0,0.7158460020002585,0.0 -0.0018612510707719991,0.0,0.13926642607212225,0.0 +0.0005763522159885184,0.0,55.492507727928015,0.0 +0.0029906195874708163,0.0,23.0246793793513,0.0 +0.0018952694312858334,0.0,8.403478370299641,0.0 +0.006937292089908312,0.0,2.624193496912962,0.0 +0.0044262137281153606,0.0,0.7107029172360932,0.0 +0.0018453088259980548,0.0,0.13754303774294438,0.0 diff --git a/examples/phd_results/t_net_analysis/dataNet/intermediate_5_all.csv b/examples/phd_results/t_net_analysis/dataNet/intermediate_5_all.csv deleted file mode 100644 index d20b7a8d..00000000 --- a/examples/phd_results/t_net_analysis/dataNet/intermediate_5_all.csv +++ /dev/null @@ -1,7 +0,0 @@ -yield,sigma yield,half_life,sigma half_life -0.0006065600042876593,0.0,54.95335989582147,0.0 -0.0033086632440693857,0.0,21.94229132529539,0.0 -0.00383224697621714,0.0,5.088042543099311,0.0 -0.0070137738811966305,0.0,1.6983594001638218,0.0 -0.003089808491644879,0.0,0.3344261832340821,0.0 -0.0010397161906897053,0.0,0.020852576574656057,0.0 diff --git a/examples/phd_results/t_net_analysis/dataNet/intermediate_5_post.csv b/examples/phd_results/t_net_analysis/dataNet/intermediate_5_post.csv deleted file mode 100644 index aae639e9..00000000 --- a/examples/phd_results/t_net_analysis/dataNet/intermediate_5_post.csv +++ /dev/null @@ -1,7 +0,0 @@ -yield,sigma yield,half_life,sigma half_life -0.0005904156776584032,0.0,55.231422363828585,0.0 -0.003137137764313036,0.0,22.525617261725607,0.0 -0.002240262658999735,0.0,6.9794347163178,0.0 -0.006544054694288273,0.0,2.462834508422723,0.0 -0.004127920659416374,0.0,0.7361599998014058,0.0 -0.002015377041911152,0.0,0.1516341827883638,0.0 diff --git a/examples/phd_results/t_net_analysis/dataNet/intermediate_600_all.csv b/examples/phd_results/t_net_analysis/dataNet/intermediate_600_all.csv deleted file mode 100644 index 3df93ecd..00000000 --- a/examples/phd_results/t_net_analysis/dataNet/intermediate_600_all.csv +++ /dev/null @@ -1,7 +0,0 @@ -yield,sigma yield,half_life,sigma half_life -0.0005789431597744432,0.0,55.45308337627322,0.0 -0.0030606650371916557,0.0,22.846884339999015,0.0 -0.002293762517943019,0.0,7.372470207605848,0.0 -0.007202992783117786,0.0,2.346831111495085,0.0 -0.004256297356130838,0.0,0.558691092398395,0.0 -0.0013756165479870746,0.0,0.09064126062053926,0.0 diff --git a/examples/phd_results/t_net_analysis/dataNet/intermediate_600_post.csv b/examples/phd_results/t_net_analysis/dataNet/intermediate_600_post.csv deleted file mode 100644 index 6d829269..00000000 --- a/examples/phd_results/t_net_analysis/dataNet/intermediate_600_post.csv +++ /dev/null @@ -1,7 +0,0 @@ -yield,sigma yield,half_life,sigma half_life -0.0005762537167555658,0.0,55.49390818310142,0.0 -0.0029881579652593976,0.0,23.031149723077817,0.0 -0.001886672218267134,0.0,8.434057691141492,0.0 -0.006924716379900181,0.0,2.6324698838758764,0.0 -0.004429534624673338,0.0,0.7161978226253582,0.0 -0.001862019901422795,0.0,0.1393123536322186,0.0 diff --git a/examples/phd_results/t_net_analysis/dataNet/pulse_0.00001_all.csv b/examples/phd_results/t_net_analysis/dataNet/pulse_0.00001_all.csv deleted file mode 100644 index 037a2fe4..00000000 --- a/examples/phd_results/t_net_analysis/dataNet/pulse_0.00001_all.csv +++ /dev/null @@ -1,7 +0,0 @@ -yield,sigma yield,half_life,sigma half_life -0.0006483599627133113,0.0,54.249302430034945,0.0 -0.003603201783433704,0.0,20.75272053617694,0.0 -0.006892455512097611,0.0,3.418177728377391,0.0 -0.005634490916347498,0.0,0.8419229562786248,0.0 -0.0018999590391563853,0.0,0.13128248341716664,0.0 -2.8612956761155514e-05,0.0,0.004057200980891107,0.0 diff --git a/examples/phd_results/t_net_analysis/dataNet/pulse_0.00001_post.csv b/examples/phd_results/t_net_analysis/dataNet/pulse_0.00001_post.csv deleted file mode 100644 index e55c9dad..00000000 --- a/examples/phd_results/t_net_analysis/dataNet/pulse_0.00001_post.csv +++ /dev/null @@ -1,7 +0,0 @@ -yield,sigma yield,half_life,sigma half_life -0.0006010003059852591,0.0,55.04723041412313,0.0 -0.003255280588350585,0.0,22.133220787208796,0.0 -0.0032346608600193516,0.0,5.601539640596733,0.0 -0.006780784272096461,0.0,1.9611956331472495,0.0 -0.0036572233997257285,0.0,0.46959941257806,0.0 -0.0011670464710297904,0.0,0.0952681389499337,0.0 diff --git a/examples/phd_results/t_net_analysis/dataNumSteps5s/intermediate_1000_all.csv b/examples/phd_results/t_net_analysis/dataNumSteps5s/intermediate_1000_all.csv deleted file mode 100644 index 504488b6..00000000 --- a/examples/phd_results/t_net_analysis/dataNumSteps5s/intermediate_1000_all.csv +++ /dev/null @@ -1,7 +0,0 @@ -yield,sigma yield,half_life,sigma half_life -0.0006420567960255477,0.0,54.35638354908993,0.0 -0.003565325515196418,0.0,20.913531825418737,0.0 -0.006555873640894113,0.0,3.564083947100355,0.0 -0.005731549685976585,0.0,0.9271559743943968,0.0 -0.0020861411852095353,0.0,0.14872170634140372,0.0 -0.0001047485294252018,0.0,0.0018986318468918477,0.0 diff --git a/examples/phd_results/t_net_analysis/dataNumSteps5s/intermediate_1000_post.csv b/examples/phd_results/t_net_analysis/dataNumSteps5s/intermediate_1000_post.csv deleted file mode 100644 index ddb9d8d0..00000000 --- a/examples/phd_results/t_net_analysis/dataNumSteps5s/intermediate_1000_post.csv +++ /dev/null @@ -1,7 +0,0 @@ -yield,sigma yield,half_life,sigma half_life -0.0005904184270829813,0.0,55.231374873684416,0.0 -0.003137174528005383,0.0,22.5255037134342,0.0 -0.0022405276301212516,0.0,6.978940690940743,0.0 -0.006544332105306523,0.0,2.4626475591897248,0.0 -0.004127867690696769,0.0,0.7360112413431618,0.0 -0.0020149751650604896,0.0,0.15158778232503106,0.0 diff --git a/examples/phd_results/t_net_analysis/dataNumSteps5s/intermediate_100_all.csv b/examples/phd_results/t_net_analysis/dataNumSteps5s/intermediate_100_all.csv deleted file mode 100644 index d20b7a8d..00000000 --- a/examples/phd_results/t_net_analysis/dataNumSteps5s/intermediate_100_all.csv +++ /dev/null @@ -1,7 +0,0 @@ -yield,sigma yield,half_life,sigma half_life -0.0006065600042876593,0.0,54.95335989582147,0.0 -0.0033086632440693857,0.0,21.94229132529539,0.0 -0.00383224697621714,0.0,5.088042543099311,0.0 -0.0070137738811966305,0.0,1.6983594001638218,0.0 -0.003089808491644879,0.0,0.3344261832340821,0.0 -0.0010397161906897053,0.0,0.020852576574656057,0.0 diff --git a/examples/phd_results/t_net_analysis/dataNumSteps5s/intermediate_100_post.csv b/examples/phd_results/t_net_analysis/dataNumSteps5s/intermediate_100_post.csv deleted file mode 100644 index aae639e9..00000000 --- a/examples/phd_results/t_net_analysis/dataNumSteps5s/intermediate_100_post.csv +++ /dev/null @@ -1,7 +0,0 @@ -yield,sigma yield,half_life,sigma half_life -0.0005904156776584032,0.0,55.231422363828585,0.0 -0.003137137764313036,0.0,22.525617261725607,0.0 -0.002240262658999735,0.0,6.9794347163178,0.0 -0.006544054694288273,0.0,2.462834508422723,0.0 -0.004127920659416374,0.0,0.7361599998014058,0.0 -0.002015377041911152,0.0,0.1516341827883638,0.0 diff --git a/examples/phd_results/t_net_analysis/dataNumSteps5s/intermediate_10_all.csv b/examples/phd_results/t_net_analysis/dataNumSteps5s/intermediate_10_all.csv deleted file mode 100644 index cfc5febb..00000000 --- a/examples/phd_results/t_net_analysis/dataNumSteps5s/intermediate_10_all.csv +++ /dev/null @@ -1,7 +0,0 @@ -yield,sigma yield,half_life,sigma half_life -0.0006040269933788191,0.0,54.99680567432679,0.0 -0.0032856673874108776,0.0,22.026042584018736,0.0 -0.003569557213842515,0.0,5.299852716912248,0.0 -0.0069782715302884124,0.0,1.8038796498336802,0.0 -0.004055442992768717,0.0,0.31053717635571987,0.0 -0.0018310736631602115,0.0,0.0035938010426241267,0.0 diff --git a/examples/phd_results/t_net_analysis/dataNumSteps5s/intermediate_10_post.csv b/examples/phd_results/t_net_analysis/dataNumSteps5s/intermediate_10_post.csv deleted file mode 100644 index f8f99a4c..00000000 --- a/examples/phd_results/t_net_analysis/dataNumSteps5s/intermediate_10_post.csv +++ /dev/null @@ -1,7 +0,0 @@ -yield,sigma yield,half_life,sigma half_life -0.0005904140511414849,0.0,55.23145144394892,0.0 -0.0031371175622057013,0.0,22.52568079668908,0.0 -0.0022401297336000223,0.0,6.979697394504298,0.0 -0.006544079642354292,0.0,2.462907449353168,0.0 -0.004128534894667884,0.0,0.7361235759565475,0.0 -0.0020150655483998285,0.0,0.15158001703723162,0.0 diff --git a/examples/phd_results/t_net_analysis/dataNumSteps5s/intermediate_1_all.csv b/examples/phd_results/t_net_analysis/dataNumSteps5s/intermediate_1_all.csv deleted file mode 100644 index c7793f66..00000000 --- a/examples/phd_results/t_net_analysis/dataNumSteps5s/intermediate_1_all.csv +++ /dev/null @@ -1,7 +0,0 @@ -yield,sigma yield,half_life,sigma half_life -0.0005904199394329888,0.0,55.23134874637851,0.0 -0.003137194550517086,0.0,22.525441574823233,0.0 -0.002240666610131754,0.0,6.9786766562306015,0.0 -0.006544460943285461,0.0,2.4625520610958915,0.0 -0.004127913806916037,0.0,0.7359334684585879,0.0 -0.0020146670128793702,0.0,0.151556528708939,0.0 diff --git a/examples/phd_results/t_net_analysis/dataNumSteps5s/intermediate_1_post.csv b/examples/phd_results/t_net_analysis/dataNumSteps5s/intermediate_1_post.csv deleted file mode 100644 index 4da0d19f..00000000 --- a/examples/phd_results/t_net_analysis/dataNumSteps5s/intermediate_1_post.csv +++ /dev/null @@ -1,7 +0,0 @@ -yield,sigma yield,half_life,sigma half_life -0.000590419742943124,0.0,55.231352150176455,0.0 -0.003137192073348421,0.0,22.525449438261457,0.0 -0.002240651631570589,0.0,6.978707107308105,0.0 -0.006544452484095048,0.0,2.462561599041238,0.0 -0.004127921451650911,0.0,0.7359392505586764,0.0 -0.002014684279741236,0.0,0.1515577482822932,0.0 diff --git a/examples/phd_results/t_net_analysis/dataNumSteps5s/intermediate_50_all.csv b/examples/phd_results/t_net_analysis/dataNumSteps5s/intermediate_50_all.csv deleted file mode 100644 index 04178049..00000000 --- a/examples/phd_results/t_net_analysis/dataNumSteps5s/intermediate_50_all.csv +++ /dev/null @@ -1,7 +0,0 @@ -yield,sigma yield,half_life,sigma half_life -0.0006021673340764964,0.0,55.0287678038575,0.0 -0.0032683262692956203,0.0,22.088595850884868,0.0 -0.0033994562172370464,0.0,5.459150334429745,0.0 -0.006950678380171376,0.0,1.8706376801161926,0.0 -0.0031023624324558532,0.0,0.45491148668105036,0.0 -0.001734702739560994,0.0,0.03995590427833553,0.0 diff --git a/examples/phd_results/t_net_analysis/dataNumSteps5s/intermediate_50_post.csv b/examples/phd_results/t_net_analysis/dataNumSteps5s/intermediate_50_post.csv deleted file mode 100644 index 1985b761..00000000 --- a/examples/phd_results/t_net_analysis/dataNumSteps5s/intermediate_50_post.csv +++ /dev/null @@ -1,7 +0,0 @@ -yield,sigma yield,half_life,sigma half_life -0.0005904113836468502,0.0,55.23149704607527,0.0 -0.0031370809698599666,0.0,22.52579297907246,0.0 -0.0022398495269453774,0.0,6.980202105897436,0.0 -0.0065436280451903785,0.0,2.4631259215900925,0.0 -0.004128378752750597,0.0,0.7363652006123198,0.0 -0.0020160858170970436,0.0,0.15158626009418205,0.0 diff --git a/examples/phd_results/t_net_analysis/dataNumSteps5s/intermediate_5_all.csv b/examples/phd_results/t_net_analysis/dataNumSteps5s/intermediate_5_all.csv deleted file mode 100644 index a6afaa77..00000000 --- a/examples/phd_results/t_net_analysis/dataNumSteps5s/intermediate_5_all.csv +++ /dev/null @@ -1,7 +0,0 @@ -yield,sigma yield,half_life,sigma half_life -0.0006040487232770398,0.0,54.99643017005205,0.0 -0.0032858662091828266,0.0,22.02532205477871,0.0 -0.0035716480122779735,0.0,5.298012927607035,0.0 -0.006977954965265861,0.0,1.8031040644875136,0.0 -0.004054389619828634,0.0,0.3102762948529634,0.0 -0.0018267842223195466,0.0,0.003592586605047965,0.0 diff --git a/examples/phd_results/t_net_analysis/dataNumSteps5s/intermediate_5_post.csv b/examples/phd_results/t_net_analysis/dataNumSteps5s/intermediate_5_post.csv deleted file mode 100644 index cb319b3f..00000000 --- a/examples/phd_results/t_net_analysis/dataNumSteps5s/intermediate_5_post.csv +++ /dev/null @@ -1,7 +0,0 @@ -yield,sigma yield,half_life,sigma half_life -0.0005904195202098858,0.0,55.231355487388406,0.0 -0.0031371883353184106,0.0,22.525460455184128,0.0 -0.002240618698716042,0.0,6.978761162369362,0.0 -0.006544314656410725,0.0,2.462597501401445,0.0 -0.004127531648290001,0.0,0.7360338131383783,0.0 -0.002015149201266732,0.0,0.15158482961626957,0.0 From 31896daf9613cd34ad6ce20238c94bc4979fafec Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Tue, 17 Mar 2026 12:30:53 -0500 Subject: [PATCH 078/259] Fix pulse and add another test for groupfit --- mosden/groupfit.py | 3 ++- tests/unit/test_groupfit.py | 32 ++++++++++++++++++++++++++++++++ 2 files changed, 34 insertions(+), 1 deletion(-) diff --git a/mosden/groupfit.py b/mosden/groupfit.py index d9204ad8..5b9ad7b0 100644 --- a/mosden/groupfit.py +++ b/mosden/groupfit.py @@ -202,6 +202,7 @@ def _pulse_fit_function(self, yields = parameters[:self.num_groups] half_lives = parameters[self.num_groups:] counts: np.ndarray[float] = np.zeros(len(times)) + irrad_dt = np.diff(self.fission_times)[0] for group in range(self.num_groups): lam = np.log(2) / half_lives[group] a = yields[group] @@ -212,7 +213,7 @@ def _pulse_fit_function(self, counts: np.ndarray[object] = np.zeros( len(times), dtype=object) counts += (a * lam * unumpy.exp(-lam * times)) - return counts * self.fission_term[0] + return counts * self.refined_fission_term * irrad_dt def _saturation_fit_function(self, times: np.ndarray[float | object], diff --git a/tests/unit/test_groupfit.py b/tests/unit/test_groupfit.py index da619a9b..5345d360 100644 --- a/tests/unit/test_groupfit.py +++ b/tests/unit/test_groupfit.py @@ -393,6 +393,38 @@ def test_effective_fiss_many_ts(): assert np.isclose(eff_fiss, stat_fiss, atol=1e-2) assert np.isclose(eff_fiss, irrad_fiss[0][-1], atol=1e-2) + +def test_effective_fiss_saturation(): + input_path = './tests/unit/input/input.json' + grouper = Grouper(input_path) + + hl = 250e-3 + lam = np.log(2) / hl + lams = np.asarray([lam]) + + dt = 500 + t_net = 5000 + + grouper.fission_times = np.arange(0.0, t_net + dt, dt) + grouper.t_net = t_net + + t_mid = 0.5 * (grouper.fission_times[:-1] + grouper.fission_times[1:]) + fiss_scalar = 3.7 + full_fission = np.ones_like(t_mid) * fiss_scalar + + grouper.full_fission_term = full_fission + + grouper.refined_fission_term = 1 + + eff_fiss = grouper._get_effective_fission(lams, np.exp, np.expm1) + stat_fiss = grouper._get_saturation_fission_term(lam, np.exp) * fiss_scalar + grouper.full_fission_term = np.concatenate(([0], grouper.full_fission_term)) + irrad_fiss = grouper._get_irrad_fission_component(grouper.fission_times, lams, np.exp, np.expm1) + + assert np.isclose(eff_fiss, stat_fiss, atol=1e-8) + assert np.isclose(stat_fiss, fiss_scalar) + assert np.isclose(eff_fiss, irrad_fiss[0][-1], atol=1e-2) + def test_irrad_fit(): input_path = './tests/unit/input/input.json' grouper = Grouper(input_path) From 60576453883e3412f90b4734fcdf3af4dae67390 Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Tue, 17 Mar 2026 13:46:40 -0500 Subject: [PATCH 079/259] Adjust time indexing for initial time value --- mosden/postprocessing.py | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/mosden/postprocessing.py b/mosden/postprocessing.py index 9a95e04b..cad7aa21 100644 --- a/mosden/postprocessing.py +++ b/mosden/postprocessing.py @@ -826,7 +826,7 @@ def _plot_nuclide_count_rates(self, num_stack: int = 1): times = list(concentration_data[nuc].keys()) nom_vals = list() std_devs = list() - for t in times[irrad_index+1:]: + for t in times[irrad_index:]: nom_val = concentration_data[nuc][t][0] std_dev = concentration_data[nuc][t][1] nom_vals.append(nom_val) @@ -1324,7 +1324,7 @@ def _get_data(self) -> dict[str: dict]: use_nucs.append(nuc) data_dict['net_nucs'] = use_nucs return data_dict - + def _get_sorted_dnp_data(self) -> tuple[dict, dict, dict]: """ Get the sorted delayed neutron precursor data by yield From f62fce695d10c37ff15ac7ffdd80d1543aa547a7 Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Tue, 17 Mar 2026 14:28:42 -0500 Subject: [PATCH 080/259] Fix bug in preprocessing for multiple debug DNPs --- mosden/preprocessing.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/mosden/preprocessing.py b/mosden/preprocessing.py index f8b0997a..be44d429 100644 --- a/mosden/preprocessing.py +++ b/mosden/preprocessing.py @@ -88,9 +88,9 @@ def _add_debug_dnps(self) -> None: else: raise KeyError('Data type does not have a valid key') + data = self._read_processed_data(data_type) for nuc, nuc_data in self.debug_dnp_data.items(): debug_data = nuc_data[key] - data = self._read_processed_data(data_type) try: _, old_val = list(data.items())[0] except IndexError: From 1c52e059d0bae8efe9c0f523918931047ba38228 Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Tue, 17 Mar 2026 14:29:07 -0500 Subject: [PATCH 081/259] Add a check if data empty --- examples/phd_results/t_net_analysis/analysis.py | 2 ++ 1 file changed, 2 insertions(+) diff --git a/examples/phd_results/t_net_analysis/analysis.py b/examples/phd_results/t_net_analysis/analysis.py index aa32c4f8..b4eb6581 100644 --- a/examples/phd_results/t_net_analysis/analysis.py +++ b/examples/phd_results/t_net_analysis/analysis.py @@ -6,6 +6,8 @@ plt.style.use('mosden.plotting') def plot_data(data_vals, namemod='', xlab=r'Irradiation Time $[s]$', actual_yield=None): + if data_vals == {}: + return None formatted_data = defaultdict(list) formatted_data['yields'] = defaultdict(list) formatted_data['hls'] = defaultdict(list) From 3ebc3a6b8b709be5aefa8936ea69c797f748ddf8 Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Tue, 17 Mar 2026 15:00:31 -0500 Subject: [PATCH 082/259] Fix bug in number of group evaluation --- mosden/countrate.py | 5 +++-- 1 file changed, 3 insertions(+), 2 deletions(-) diff --git a/mosden/countrate.py b/mosden/countrate.py index 6950bbe6..6246a091 100644 --- a/mosden/countrate.py +++ b/mosden/countrate.py @@ -103,8 +103,9 @@ def _count_rate_from_groups(self) -> dict[str: list[float]]: else: use_times = self.use_times[irrad_index+1:] - parameters = np.zeros(grouper.num_groups * 2, dtype=object) - for i in range(grouper.num_groups): + num_groups = len(self.group_params['yield']) + parameters = np.zeros(num_groups * 2, dtype=object) + for i in range(num_groups): yield_val = ufloat( self.group_params['yield'][i], self.group_params['sigma yield'][i]) From 1d3f9af57adb08c40cfaccae284ebfe73478e874 Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Tue, 17 Mar 2026 15:25:31 -0500 Subject: [PATCH 083/259] Add data generation script --- .../t_net_analysis/generate_data.py | 30 ++++++++ .../phd_results/t_net_analysis/input.json | 68 +++++++++++++++++++ 2 files changed, 98 insertions(+) create mode 100644 examples/phd_results/t_net_analysis/generate_data.py create mode 100644 examples/phd_results/t_net_analysis/input.json diff --git a/examples/phd_results/t_net_analysis/generate_data.py b/examples/phd_results/t_net_analysis/generate_data.py new file mode 100644 index 00000000..983dbf63 --- /dev/null +++ b/examples/phd_results/t_net_analysis/generate_data.py @@ -0,0 +1,30 @@ +import subprocess +import json +import shutil + + + +if __name__ == "__main__": + num_groups = [4, 6, 8, 10, 12] + irrad_times = [1e-4, 1e-3, 1e-2, 1e-1, 1, 1e1, 1e2, 1e3, 1e4] + for group in num_groups: + output_dir = f'./dataNet_{group}' + input_file = './input.json' + for T in irrad_times: + with open(input_file, 'r') as f: + data = json.load(f) + eval_method = 'post-irrad' + data['modeling_options']['residual_handling'] = [eval_method] + data['modeling_options']['incore_s'] = T + data['modeling_options']['net_irrad_s'] = T + with open(input_file, 'w') as f: + json.dump(data, f, indent=4) + + subprocess.run(['mosden', '-pre', input_file]) + subprocess.run(['mosden', '-m', input_file]) + shutil.move('./group_parameters.csv', f'{output_dir}/intermediate_{T}_{eval_method}.csv') + subprocess.run(['mosden', '-g', input_file]) + + eval_method = 'all' + data['modeling_options']['residual_handling'] = [eval_method] + shutil.move('./group_parameters.csv', f'{output_dir}/intermediate_{T}_{eval_method}.csv') diff --git a/examples/phd_results/t_net_analysis/input.json b/examples/phd_results/t_net_analysis/input.json new file mode 100644 index 00000000..6aa65496 --- /dev/null +++ b/examples/phd_results/t_net_analysis/input.json @@ -0,0 +1,68 @@ +{ + "name": "IAEA HF", + "file_options": { + "overwrite": { + "preprocessing": true, + "concentrations": true, + "count_rate": true, + "group_fitting": true, + "postprocessing": true, + "logger": true + }, + "unprocessed_data_dir": "/home/luke/github/mosden/mosden/data/unprocessed/", + "log_level": 20 + }, + "data_options": { + "half_life": "endfb71/decay/", + "cross_section": "", + "emission_probability": "endfb71/decay/", + "fission_yield": "endfb71/nfy/", + "decay_time_spacing": "log", + "temperature_K": 920, + "density_g_cm3": 2.3275, + "energy_MeV": 2.53e-08, + "fissile_fractions": { + "U235": 1.0 + } + }, + "modeling_options": { + "concentration_handling": "OMC", + "count_rate_handling": "data", + "residual_handling": [ + "post-irrad" + ], + "reprocessing_locations": [ + "excore" + ], + "reprocessing": { + "Xe": 0.0 + }, + "irrad_type": "intermediate", + "spatial_scaling": { + "flux": false, + "reprocessing": false + }, + "base_removal_scaling": 0.5, + "incore_s": 0.0001, + "excore_s": 0, + "net_irrad_s": 0.0001, + "decay_time": 600, + "num_decay_times": 100, + "openmc_settings": { + "nps": 5000, + "batches": 10, + "source": 1000.0, + "run_omc": true, + "write_fission_json": true, + "write_nuyield_json": true, + "max_timestep": 10000000000.0 + } + }, + "group_options": { + "num_groups": 12, + "method": "nlls", + "parameter_guesses": 10, + "samples": 1, + "sample_func": "normal" + } +} \ No newline at end of file From 8e7748696715817e780b46f889b05181761e39d0 Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Wed, 18 Mar 2026 10:23:30 -0500 Subject: [PATCH 084/259] Fix bug in generate data to check that dir exists --- examples/phd_results/t_net_analysis/generate_data.py | 2 ++ 1 file changed, 2 insertions(+) diff --git a/examples/phd_results/t_net_analysis/generate_data.py b/examples/phd_results/t_net_analysis/generate_data.py index 983dbf63..5fdf1002 100644 --- a/examples/phd_results/t_net_analysis/generate_data.py +++ b/examples/phd_results/t_net_analysis/generate_data.py @@ -1,6 +1,7 @@ import subprocess import json import shutil +import os @@ -22,6 +23,7 @@ subprocess.run(['mosden', '-pre', input_file]) subprocess.run(['mosden', '-m', input_file]) + os.makedirs(output_dir, exist_ok=True) shutil.move('./group_parameters.csv', f'{output_dir}/intermediate_{T}_{eval_method}.csv') subprocess.run(['mosden', '-g', input_file]) From eabdcd1dc8e77310dbbb163a1da043aa7c7c1637 Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Wed, 18 Mar 2026 10:23:39 -0500 Subject: [PATCH 085/259] Update gitignore --- .gitignore | 2 ++ 1 file changed, 2 insertions(+) diff --git a/.gitignore b/.gitignore index 69d8e632..ec4d0f83 100644 --- a/.gitignore +++ b/.gitignore @@ -179,6 +179,8 @@ cython_debug/ !/examples/phd_results/prk/main.py !/examples/phd_results/t_net_analysis/dataNet/* !/examples/phd_results/t_net_analysis/analysis.py +!/examples/phd_results/t_net_analysis/generate_data.py +!/examples/phd_results/t_net_analysis/input.json /examples/prelim_results/detailed_decay/* /examples/prelim_results/spacing_times/* From ff9e48add1aa684c414cee128dc8d0bb610a003a Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Wed, 18 Mar 2026 10:33:50 -0500 Subject: [PATCH 086/259] Adjust input files to use iaea data with jeff CFYs --- examples/phd_results/t_net_analysis/input.json | 6 +++--- examples/prelim_results/input.json | 2 +- 2 files changed, 4 insertions(+), 4 deletions(-) diff --git a/examples/phd_results/t_net_analysis/input.json b/examples/phd_results/t_net_analysis/input.json index 6aa65496..0d838022 100644 --- a/examples/phd_results/t_net_analysis/input.json +++ b/examples/phd_results/t_net_analysis/input.json @@ -13,10 +13,10 @@ "log_level": 20 }, "data_options": { - "half_life": "endfb71/decay/", + "half_life": "iaea/eval.csv", "cross_section": "", - "emission_probability": "endfb71/decay/", - "fission_yield": "endfb71/nfy/", + "emission_probability": "iaea/eval.csv", + "fission_yield": "jeff311/nfpy/", "decay_time_spacing": "log", "temperature_K": 920, "density_g_cm3": 2.3275, diff --git a/examples/prelim_results/input.json b/examples/prelim_results/input.json index cdf868b9..275bcc94 100644 --- a/examples/prelim_results/input.json +++ b/examples/prelim_results/input.json @@ -16,7 +16,7 @@ "half_life": "iaea/eval.csv", "cross_section": "", "emission_probability": "iaea/eval.csv", - "fission_yield": "endfb71/nfy/", + "fission_yield": "jeff311/nfpy/", "decay_time_spacing": "linear", "temperature_K": 920, "density_g_cm3": 2.3275, From d4d5a0b9cfff3a9d60a334b9036f0b230351e5ff Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Wed, 18 Mar 2026 12:03:13 -0500 Subject: [PATCH 087/259] Clean up t net analysis scripts --- .../phd_results/t_net_analysis/analysis.py | 19 ++++++++++++++----- .../t_net_analysis/generate_data.py | 2 ++ 2 files changed, 16 insertions(+), 5 deletions(-) diff --git a/examples/phd_results/t_net_analysis/analysis.py b/examples/phd_results/t_net_analysis/analysis.py index b4eb6581..b6076674 100644 --- a/examples/phd_results/t_net_analysis/analysis.py +++ b/examples/phd_results/t_net_analysis/analysis.py @@ -79,13 +79,16 @@ def plot_data(data_vals, namemod='', xlab=r'Irradiation Time $[s]$', actual_yiel plt.savefig(f'stack_yields{namemod}.png') plt.close() -def build_data_dict(data_path=r'./dataNet/'): +def build_data_dict(data_path=r'./dataNet/', post_name='_post', all_name='_all'): def helper(pathmod): files = glob.glob(os.path.join(data_path, f"*{pathmod}.csv")) data = {} + split_offset = 1 + if '_' in data_path: + split_offset += 1 for file in files: file: str = file - time = float(file.split('_')[1]) + time = float(file.split('_')[split_offset]) data[time] = dict() file_data = CSVHandler(file).read_vector_csv() data[time]['yields'] = file_data['yield'] @@ -93,14 +96,20 @@ def helper(pathmod): data = dict(sorted(data.items())) return data - post_data = helper('_post') - all_data = helper('_all') + post_data = helper(post_name) + all_data = helper(all_name) return post_data, all_data if __name__ == '__main__': - #actual_yield = 0.018655 actual_yield = None + + post_data, all_data = build_data_dict('./dataNet_4', post_name='_post-irrad') + print(post_data) + print(all_data) + plot_data(post_data, '_post-irrad', actual_yield=actual_yield) + plot_data(all_data, '_all', actual_yield=actual_yield) + post_data, all_data = build_data_dict() plot_data(post_data, '_post', actual_yield=actual_yield) plot_data(all_data, '_all', actual_yield=actual_yield) diff --git a/examples/phd_results/t_net_analysis/generate_data.py b/examples/phd_results/t_net_analysis/generate_data.py index 5fdf1002..3368f4c7 100644 --- a/examples/phd_results/t_net_analysis/generate_data.py +++ b/examples/phd_results/t_net_analysis/generate_data.py @@ -18,6 +18,8 @@ data['modeling_options']['residual_handling'] = [eval_method] data['modeling_options']['incore_s'] = T data['modeling_options']['net_irrad_s'] = T + data['group_options']['num_groups'] = group + with open(input_file, 'w') as f: json.dump(data, f, indent=4) From 2c615d109a07721842cf24c9e2dfa2748b31c24e Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Wed, 18 Mar 2026 12:12:31 -0500 Subject: [PATCH 088/259] Fix test bug --- mosden/groupfit.py | 4 +++- 1 file changed, 3 insertions(+), 1 deletion(-) diff --git a/mosden/groupfit.py b/mosden/groupfit.py index 5b9ad7b0..6d51228d 100644 --- a/mosden/groupfit.py +++ b/mosden/groupfit.py @@ -202,7 +202,9 @@ def _pulse_fit_function(self, yields = parameters[:self.num_groups] half_lives = parameters[self.num_groups:] counts: np.ndarray[float] = np.zeros(len(times)) - irrad_dt = np.diff(self.fission_times)[0] + irrad_dt = 1 + if self.fission_times: + irrad_dt = np.diff(self.fission_times)[0] for group in range(self.num_groups): lam = np.log(2) / half_lives[group] a = yields[group] From af2927eb2f3bf14923252e3201bcd4557e4d4070 Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Wed, 18 Mar 2026 13:01:56 -0500 Subject: [PATCH 089/259] Adjust analysis file names --- examples/phd_results/t_net_analysis/analysis.py | 6 ++---- 1 file changed, 2 insertions(+), 4 deletions(-) diff --git a/examples/phd_results/t_net_analysis/analysis.py b/examples/phd_results/t_net_analysis/analysis.py index b6076674..e4f7f0f4 100644 --- a/examples/phd_results/t_net_analysis/analysis.py +++ b/examples/phd_results/t_net_analysis/analysis.py @@ -105,10 +105,8 @@ def helper(pathmod): actual_yield = None post_data, all_data = build_data_dict('./dataNet_4', post_name='_post-irrad') - print(post_data) - print(all_data) - plot_data(post_data, '_post-irrad', actual_yield=actual_yield) - plot_data(all_data, '_all', actual_yield=actual_yield) + plot_data(post_data, '_4_post-irrad', actual_yield=actual_yield) + plot_data(all_data, '_4_all', actual_yield=actual_yield) post_data, all_data = build_data_dict() plot_data(post_data, '_post', actual_yield=actual_yield) From c9dfaebc2f5537a932fff92327df5ad09b6896e5 Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Wed, 18 Mar 2026 13:04:07 -0500 Subject: [PATCH 090/259] Clean up analysis plot gen --- examples/phd_results/t_net_analysis/analysis.py | 9 ++++++--- 1 file changed, 6 insertions(+), 3 deletions(-) diff --git a/examples/phd_results/t_net_analysis/analysis.py b/examples/phd_results/t_net_analysis/analysis.py index e4f7f0f4..deb6e902 100644 --- a/examples/phd_results/t_net_analysis/analysis.py +++ b/examples/phd_results/t_net_analysis/analysis.py @@ -104,9 +104,12 @@ def helper(pathmod): if __name__ == '__main__': actual_yield = None - post_data, all_data = build_data_dict('./dataNet_4', post_name='_post-irrad') - plot_data(post_data, '_4_post-irrad', actual_yield=actual_yield) - plot_data(all_data, '_4_all', actual_yield=actual_yield) + groups = [4, 6] + + for group in groups: + post_data, all_data = build_data_dict(f'./dataNet_{group}', post_name='_post-irrad') + plot_data(post_data, f'_{group}_post-irrad', actual_yield=actual_yield) + plot_data(all_data, f'_{group}_all', actual_yield=actual_yield) post_data, all_data = build_data_dict() plot_data(post_data, '_post', actual_yield=actual_yield) From 472346bf46dbdf44bcaf74fdf954074bbe52883f Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Wed, 18 Mar 2026 13:43:14 -0500 Subject: [PATCH 091/259] Add reactivity and clean up PRK data --- examples/phd_results/prk/input.json | 41 +++++++++++++++++++++------- examples/phd_results/prk/main.py | 42 +++++++++++++++++++++++++---- 2 files changed, 69 insertions(+), 14 deletions(-) diff --git a/examples/phd_results/prk/input.json b/examples/phd_results/prk/input.json index b8cc6588..6044b36d 100644 --- a/examples/phd_results/prk/input.json +++ b/examples/phd_results/prk/input.json @@ -1,11 +1,14 @@ { - "o_selections": ["intermediate", "intermediate [all]"], - "selections": ["pulse", "intermediate", "intermediate [all]", "saturation", "saturation [all]"], + "p_selections": ["pulse (12 Group)", "pulse (6 Group)"], + "s_selections": ["saturation (12 Group)", "saturation (6 Group)"], + "12_selections": ["saturation (12 Group)", "pulse (12 Group)"], + "selections": ["saturation (6 Group)", "pulse (6 Group)"], + "o_selections": ["pulse", "intermediate", "intermediate [all]", "saturation", "saturation [all]"], "problem": "step_relative", "euler_mode": "backward", "time_steps": [1e-3], "tf": 60, - "step_relative_insertion": 0.5, + "step_relative_insertion": 0.2, "rho_max_dollars": 0.5, "neutrons_per_fission": 2.4, "gen_time": 2e-5, @@ -18,22 +21,42 @@ "yields": [0.00052, 0.00346, 0.00310, 0.00624, 0.00182, 0.00066], "hls": [55.89897, 22.72614, 6.24457, 2.30281, 0.60802, 0.23028] }, - "pulse": { + "saturation (12 Group)": { "description": "Calculated using ENDFB71 data, post-irrad, (0.00001,0) 0.00001 second irradiation, 100 decay times, 600 decay seconds", - "yields": [0.000601, 0.00325528, 0.00323466, 0.00678078, 0.0036572234, 0.001167046], - "hls": [55.047, 22.133, 5.6015, 1.9612, 0.4696, 0.095268] + "yields": [0.0005656472215,0.002198207066,0.001338003382,0.001114144677,0.00179710018,0.003603305635,0.002678179231,0.001702561476,0.002182161502,0.0005623352814,0.0007872725729,0.0001679907224], + "hls": [55.6500063,24.49692111,16.44366392,6.276748628,4.514150811,2.46927962,1.670333697,0.8350727044,0.4320683266,0.2024997748,0.1033482276,0.05331534079] }, - "intermediate": { + "pulse (12 Group)": { + "description": "Calculated using ENDFB71 data, post-irrad, (0.00001,0) 0.00001 second irradiation, 100 decay times, 600 decay seconds", + "yields": [0.0005656706143,0.002202477958,0.001337748909,0.001606337851,0.001828872942,0.004722277575,0.00168008456,0.001554452503,0.001816418866,0.0005476500869,0.0006872078538,0.0001477146368], + "hls": [55.6496383,24.49045138,16.41335757,5.972034253,3.90605527,2.173831207,1.235484705,0.6680106567,0.3927728687,0.1715945748,0.09783430498,0.05206679763] + }, + "pulse (6 Group)": { + "description": "Calculated using ENDFB71 data, post-irrad, (0.00001,0) 0.00001 second irradiation, 100 decay times, 600 decay seconds", + "yields": [0.0006011, 0.00325654, 0.00324718397, 0.0067798565, 0.0036530347, 0.001158503], + "hls": [55.04571, 22.12906, 5.588844, 1.95615, 0.46736, 0.094685] + }, + "intermediate (10s) (Six Group)": { + "description": "Calculated using ENDFB71 data, post-irrad, (1,0) 30 second irradiation, 100 decay times, 600 decay seconds", + "yields": [0.0005870577906,0.003091138473,0.00196693276,0.006436218583,0.004439662967,0.002133811102], + "hls": [55.29033369,22.66557932,7.593278713,2.643128317,0.801288212,0.1582260609] + }, + "intermediate (10s) [all]": { + "description": "Calculated using ENDFB71 data, all, (1,0) 30 second irradiation, 100 decay times, 600 decay seconds", + "yields": [0.000591267, 0.00316419, 0.002834526, 0.007079536, 0.00482916, 0.00073507], + "hls": [55.222525, 22.459077, 6.3348598, 2.0843, 0.349625, 0.006170445] + }, + "intermediate (30s) (Six Group)": { "description": "Calculated using ENDFB71 data, post-irrad, (1,0) 30 second irradiation, 100 decay times, 600 decay seconds", "yields": [0.0005810767, 0.002995618, 0.00165845, 0.0065752589, 0.004701, 0.00214555], "hls": [55.395699, 22.939397, 8.79516, 2.8361, 0.82819, 0.15777] }, - "intermediate [all]": { + "intermediate (30s) [all]": { "description": "Calculated using ENDFB71 data, all, (1,0) 30 second irradiation, 100 decay times, 600 decay seconds", "yields": [0.000591267, 0.00316419, 0.002834526, 0.007079536, 0.00482916, 0.00073507], "hls": [55.222525, 22.459077, 6.3348598, 2.0843, 0.349625, 0.006170445] }, - "saturation": { + "saturation (6 Group)": { "description": "Calculated using ENDFB71 data, post-irrad, (60,0) 1200 second irradiation, 100 decay times, 600 decay seconds", "yields": [0.000576267, 0.002988244, 0.0018862306, 0.0069244077, 0.0044298534, 0.001862336], "hls": [55.4938, 23.030678, 8.43461, 2.63272, 0.7163197, 0.139332515] diff --git a/examples/phd_results/prk/main.py b/examples/phd_results/prk/main.py index c32f3f95..09eeb55d 100644 --- a/examples/phd_results/prk/main.py +++ b/examples/phd_results/prk/main.py @@ -26,9 +26,13 @@ def _solve_handler(self, dt, rho, problem): total_yield = self.data['neutrons_per_fission'] betas = np.asarray(cur_data['yields']) / total_yield beta_eff = np.sum(betas) + self.betaeff = beta_eff lams = np.log(2) / cur_data['hls'] + self.betas = betas + self.lams = lams p0 = self.data['p0'] gen = self.data['gen_time'] + self.gen = gen times = np.arange(0, self.data['tf']+dt, dt) power_vals = list() @@ -190,16 +194,17 @@ def _write_output(self, write_path, times, powers, precs, rho, cur_data, dt, def compare_results(self, full_data): linestyles = [':', '-.', '--'] + colors = self.post.get_colors(len(full_data)) for pi, (problem, data) in enumerate(full_data.items()): label: str = problem.capitalize() times = data['times'] power = data['power'] - plt.plot(times, power, label=label, linestyle=linestyles[pi%len(linestyles)]) + plt.plot(times, power, label=label, linestyle=linestyles[pi%len(linestyles)], color=colors[pi]) print(f'{label} {power[-1] = }') plt.legend() #plt.xscale('log') plt.xlabel('Time [s]') - plt.ylabel('Relative Power') + plt.ylabel(r'$n$') plt.savefig(f'compare_power.png') plt.close() @@ -212,10 +217,11 @@ def compare_results(self, full_data): base_label = label base_power = power power_diff = (base_power - power) / ((base_power + power) / 2) * 100 - plt.plot(times, power_diff, label=f'{label}', linestyle=linestyles[pi%len(linestyles)]) + plt.plot(times, power_diff, label=f'{label}', linestyle=linestyles[pi%len(linestyles)], color=colors[pi]) plt.legend() plt.xlabel('Time [s]') - plt.ylabel(f'Power Difference from {base_label} [\%]') + plt.xscale('log') + plt.ylabel(rf'$\Delta n$ from {base_label} [\%]') plt.savefig(f'compare_power_percent.png') plt.close() @@ -226,7 +232,7 @@ def compare_results(self, full_data): concs = data['concs'] conc = np.asarray(concs)[:, group] - plt.plot(times, conc, label=label, linestyle=linestyles[pi%len(linestyles)]) + plt.plot(times, conc, label=label, linestyle=linestyles[pi%len(linestyles)], color=colors[pi]) print(f'{label} {conc[-1] = }') plt.legend() plt.xlabel('Time [s]') @@ -234,6 +240,31 @@ def compare_results(self, full_data): plt.savefig(f'compare_conc_{group+1}.png') plt.close() + for pi, (problem, data) in enumerate(full_data.items()): + label: str = problem.capitalize() + times = data['times'] + power = np.asarray(data['power']) + base_rho = data['reactivity'] + reactivity_data = list() + for t in times: + reactivity_data.append(base_rho(t)) + concs = data['concs'] + conc_contribution = 0 + for group in range(self.num_groups): + conc = np.asarray(concs)[:, group] + conc_contribution += self.gen/power * self.betas[group] * self.lams[group] + reactivity = np.asarray(reactivity_data) - self.betaeff + np.asarray(conc_contribution) + print(f'{reactivity_data[-1] = }') + print(f'{conc_contribution[-1] = }') + print(f'{self.betaeff = }') + plt.plot(times, reactivity, label=f'{label}', linestyle=linestyles[pi%len(linestyles)], color=colors[pi]) + plt.legend() + plt.xlabel('Time [s]') + plt.ylabel(f'Reactivity') + plt.savefig(f'compare_reactivity.png') + plt.close() + + return def solve(self): @@ -259,6 +290,7 @@ def solve(self): compare_data[problem]['times'] = times compare_data[problem]['power'] = powers compare_data[problem]['concs'] = precs + compare_data[problem]['reactivity'] = rho self._dt_plot(time_collections, power_collections, dt_list) if len(problems) > 1: From b70e4e4291a3254ef494c230aafd9db7b33b5b03 Mon Sep 17 00:00:00 2001 From: Luke Seifert Date: Sat, 21 Mar 2026 20:02:24 -0500 Subject: [PATCH 092/259] Fix num groups in from group counts --- mosden/countrate.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/mosden/countrate.py b/mosden/countrate.py index 6246a091..f46a35f5 100644 --- a/mosden/countrate.py +++ b/mosden/countrate.py @@ -113,7 +113,7 @@ def _count_rate_from_groups(self) -> dict[str: list[float]]: self.group_params['half_life'][i], self.group_params['sigma half_life'][i]) parameters[i] = yield_val - parameters[grouper.num_groups + i] = half_life + parameter[num_groups + i] = half_life grouper._set_refined_fission_term(self.decay_times) parameters = grouper._restructure_intermediate_yields(parameters, to_yield=False) From 6bf8eedd29145e0a6cc199ce6f265879bb843a8b Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Mon, 23 Mar 2026 09:15:40 -0500 Subject: [PATCH 093/259] Add error checking for failed least squares solve --- mosden/groupfit.py | 27 +++++++++++++++------------ 1 file changed, 15 insertions(+), 12 deletions(-) diff --git a/mosden/groupfit.py b/mosden/groupfit.py index 6d51228d..73abac7b 100644 --- a/mosden/groupfit.py +++ b/mosden/groupfit.py @@ -8,7 +8,7 @@ from time import time import warnings from tqdm import tqdm -from scipy.linalg import svd +from scipy.linalg import svd, LinAlgError from typing import Callable @@ -569,17 +569,20 @@ def _nonlinear_least_squares(self, best = None for x0 in tqdm(starts): - result = least_squares(self._residual_function, - x0, - bounds=bounds, - method='trf', - x_scale='jac', - ftol=1e-12, - gtol=1e-12, - xtol=1e-12, - verbose=0, - max_nfev=1e6, - args=(times, counts, count_err, irrad_counts, irrad_times, fit_function)) + try: + result = least_squares(self._residual_function, + x0, + bounds=bounds, + method='trf', + x_scale='jac', + ftol=1e-12, + gtol=1e-12, + xtol=1e-12, + verbose=0, + max_nfev=1e6, + args=(times, counts, count_err, irrad_counts, irrad_times, fit_function)) + except LinAlgError: + continue if best is None or result.cost < best.cost: best = result result = best From 062cda3371436b8e2ccf818b5556aafc029371d4 Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Mon, 23 Mar 2026 09:19:32 -0500 Subject: [PATCH 094/259] Change phd results to iaea jeff data --- examples/phd_results/input.json | 6 +++--- 1 file changed, 3 insertions(+), 3 deletions(-) diff --git a/examples/phd_results/input.json b/examples/phd_results/input.json index e5b378d9..002a4803 100644 --- a/examples/phd_results/input.json +++ b/examples/phd_results/input.json @@ -13,10 +13,10 @@ "log_level": 20 }, "data_options": { - "half_life": "endfb71/decay/", + "half_life": "iaea/eval.csv", "cross_section": "", - "emission_probability": "endfb71/decay/", - "fission_yield": "endfb71/nfy/", + "emission_probability": "iaea/eval.csv", + "fission_yield": "jeff311/nfpy/", "decay_time_spacing": "log", "temperature_K": 920, "density_g_cm3": 2.3275, From 2ad0cc00947b91c0a8096ffcc54f0e00d12fe27f Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Mon, 23 Mar 2026 09:25:42 -0500 Subject: [PATCH 095/259] Clean up analysis marker indexing and diff --- examples/phd_results/t_net_analysis/analysis.py | 7 ++++--- 1 file changed, 4 insertions(+), 3 deletions(-) diff --git a/examples/phd_results/t_net_analysis/analysis.py b/examples/phd_results/t_net_analysis/analysis.py index deb6e902..0e14ca80 100644 --- a/examples/phd_results/t_net_analysis/analysis.py +++ b/examples/phd_results/t_net_analysis/analysis.py @@ -21,6 +21,7 @@ def plot_data(data_vals, namemod='', xlab=r'Irradiation Time $[s]$', actual_yiel total_yield = sum(vals) total_yields.append(total_yield) max_index = total_yields.index(max(total_yields)) + min_index = total_yields.index(min(total_yields)) for t_net, params in data_vals.items(): formatted_data['xs'].append(t_net) @@ -29,7 +30,7 @@ def plot_data(data_vals, namemod='', xlab=r'Irradiation Time $[s]$', actual_yiel formatted_data[name][group].append(val) markers = ['.', '*', '>', '<', 'v', '^'] - print(f'Maximum yield of {total_yields[max_index]} at {formatted_data["xs"][max_index]}s') + print(f'Max - min yield of {round(1e5*(total_yields[max_index] - total_yields[min_index]), 4)} pcm ({namemod})') plt.plot(formatted_data['xs'], total_yields, label="Yields") if actual_yield: plt.hlines(actual_yield, min(formatted_data['xs']), max(formatted_data['xs']), label='Actual Yield', @@ -48,7 +49,7 @@ def plot_data(data_vals, namemod='', xlab=r'Irradiation Time $[s]$', actual_yiel continue for group, params in data.items(): plt.plot(formatted_data['xs'], params, label=f'Group {group+1}', - marker=markers[group], linestyle='--', markersize=5, + marker=markers[group % len(markers)], linestyle='--', markersize=5, linewidth=1) plt.legend() plt.xlabel(xlab) @@ -104,7 +105,7 @@ def helper(pathmod): if __name__ == '__main__': actual_yield = None - groups = [4, 6] + groups = [4, 5, 6, 7, 8, 9, 10, 11, 12, 13]#, 14] for group in groups: post_data, all_data = build_data_dict(f'./dataNet_{group}', post_name='_post-irrad') From cc7d523bb1b39ba055030b3303c0a0feb519d5d2 Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Mon, 23 Mar 2026 10:25:07 -0500 Subject: [PATCH 096/259] Clean up analysis --- .../phd_results/t_net_analysis/analysis.py | 75 +++++++++++++++++-- 1 file changed, 68 insertions(+), 7 deletions(-) diff --git a/examples/phd_results/t_net_analysis/analysis.py b/examples/phd_results/t_net_analysis/analysis.py index 0e14ca80..0b2226a3 100644 --- a/examples/phd_results/t_net_analysis/analysis.py +++ b/examples/phd_results/t_net_analysis/analysis.py @@ -2,17 +2,16 @@ from collections import defaultdict from mosden.utils.csv_handler import CSVHandler import glob +import numpy as np import os +from mosden.postprocessing import PostProcess plt.style.use('mosden.plotting') -def plot_data(data_vals, namemod='', xlab=r'Irradiation Time $[s]$', actual_yield=None): - if data_vals == {}: - return None +def _cleanup_data(data_vals): formatted_data = defaultdict(list) formatted_data['yields'] = defaultdict(list) formatted_data['hls'] = defaultdict(list) formatted_data["xs"] = [] - xscale = 'log' total_yields = [] for t, params in data_vals.items(): @@ -20,14 +19,22 @@ def plot_data(data_vals, namemod='', xlab=r'Irradiation Time $[s]$', actual_yiel if key == 'yields': total_yield = sum(vals) total_yields.append(total_yield) - max_index = total_yields.index(max(total_yields)) - min_index = total_yields.index(min(total_yields)) for t_net, params in data_vals.items(): formatted_data['xs'].append(t_net) for name, data in params.items(): for group, val in enumerate(data): formatted_data[name][group].append(val) + return formatted_data, total_yields + + +def plot_data(data_vals, namemod='', xlab=r'Irradiation Time $[s]$', actual_yield=None): + if data_vals == {}: + return None + formatted_data, total_yields = _cleanup_data(data_vals) + xscale = 'log' + max_index = total_yields.index(max(total_yields)) + min_index = total_yields.index(min(total_yields)) markers = ['.', '*', '>', '<', 'v', '^'] print(f'Max - min yield of {round(1e5*(total_yields[max_index] - total_yields[min_index]), 4)} pcm ({namemod})') @@ -80,6 +87,56 @@ def plot_data(data_vals, namemod='', xlab=r'Irradiation Time $[s]$', actual_yiel plt.savefig(f'stack_yields{namemod}.png') plt.close() +def plot_accumulated_data(accumulated_data): + data = list() + groups = list() + for group, data_vals in accumulated_data.items(): + formatted_data, total_yields = _cleanup_data(data_vals) + times = formatted_data['xs'] + groups.append(group) + data.append(total_yields) + data = np.asarray(data).T + + + + + post = PostProcess(None) + colors = post.get_colors(len(data)) + markers = post.markers + for i in range(len(data)): + plt.plot(groups, data[i], label=f"T = {times[i]}", + marker=markers[i % len(markers)], + color=colors[i], linestyle='--', + linewidth=0.75, + markersize=5) + plt.xlabel('Number of Groups') + plt.ylabel(r'$\nu_d$') + plt.legend() + plt.tight_layout() + plt.savefig(f'total_yield_groups.png') + plt.close() + + + diffs = list() + for i in range(len(data[0])): + diff = max(data[:, i]) - min(data[:, i]) + diffs.append(1e5 * diff) + + plt.plot(groups, diffs, color='black') + plt.xlabel('Number of Groups') + plt.yscale('log') + plt.ylabel(r'$\Delta \nu_d $ $[pcm]$') + plt.tight_layout() + plt.savefig(f'total_yield_diff.png') + plt.close() + + + + + return None + + + def build_data_dict(data_path=r'./dataNet/', post_name='_post', all_name='_all'): def helper(pathmod): files = glob.glob(os.path.join(data_path, f"*{pathmod}.csv")) @@ -105,12 +162,16 @@ def helper(pathmod): if __name__ == '__main__': actual_yield = None - groups = [4, 5, 6, 7, 8, 9, 10, 11, 12, 13]#, 14] + groups = [4, 5, 6, 7, 8, 9, 10, 11, 12, 13] + accumulated_data = dict() for group in groups: post_data, all_data = build_data_dict(f'./dataNet_{group}', post_name='_post-irrad') plot_data(post_data, f'_{group}_post-irrad', actual_yield=actual_yield) plot_data(all_data, f'_{group}_all', actual_yield=actual_yield) + accumulated_data[group] = post_data + + plot_accumulated_data(accumulated_data) post_data, all_data = build_data_dict() plot_data(post_data, '_post', actual_yield=actual_yield) From 787d0225fa0d8e0e59f9d9b513b7b4c6c3b3ae07 Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Mon, 23 Mar 2026 10:33:38 -0500 Subject: [PATCH 097/259] FIx preprocessing for fast energy --- mosden/preprocessing.py | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/mosden/preprocessing.py b/mosden/preprocessing.py index be44d429..46e749e3 100644 --- a/mosden/preprocessing.py +++ b/mosden/preprocessing.py @@ -552,14 +552,14 @@ def _fit_fy_endf(self, Dictionary containing the fitted fission yield data. """ fit_FY_endf: dict[str: float] = {} - endf_nucs: list[str] = list(fys[0].keys()) + endf_nucs: list[str] = list(set().union(*[e.keys() for e in fys])) energy_index: int = np.argmin( np.abs( np.array(energies) - self.energy_MeV * 1e6)) for i, nuc in enumerate(endf_nucs): - fission_yield = fys[energy_index][nuc] + fission_yield = fys[energy_index].get(nuc, ufloat(0.0, 0.0)) uncert = fission_yield.s if fission_yield.s == 0.0: uncert = 1e-12 From 440fb3f1d942d7a9a0a747a1ed27b13675c94451 Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Mon, 23 Mar 2026 10:33:48 -0500 Subject: [PATCH 098/259] Add index error handling in post --- mosden/postprocessing.py | 2 ++ 1 file changed, 2 insertions(+) diff --git a/mosden/postprocessing.py b/mosden/postprocessing.py index cad7aa21..abba8302 100644 --- a/mosden/postprocessing.py +++ b/mosden/postprocessing.py @@ -44,6 +44,8 @@ def __init__(self, input_path: str) -> None: self.MC_yields, self.MC_half_lives = self._get_MC_group_params() except KeyError: self.logger.warning('Postdata does not exist') + except IndexError: + self.logger.warning('Could not access data at target index') grouper = Grouper(input_path) self.refined_fission_term = grouper._set_refined_fission_term(self.decay_times) From 275b4bc2e8c5df776d10fb82fc7d736bd20ebfc0 Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Mon, 23 Mar 2026 10:39:27 -0500 Subject: [PATCH 099/259] Fix typo --- mosden/countrate.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/mosden/countrate.py b/mosden/countrate.py index f46a35f5..2abbc80c 100644 --- a/mosden/countrate.py +++ b/mosden/countrate.py @@ -113,7 +113,7 @@ def _count_rate_from_groups(self) -> dict[str: list[float]]: self.group_params['half_life'][i], self.group_params['sigma half_life'][i]) parameters[i] = yield_val - parameter[num_groups + i] = half_life + parameters[num_groups + i] = half_life grouper._set_refined_fission_term(self.decay_times) parameters = grouper._restructure_intermediate_yields(parameters, to_yield=False) From 616b17075df67ee7327255472a3c2d032f518a59 Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Mon, 23 Mar 2026 10:51:57 -0500 Subject: [PATCH 100/259] Add a new analysis for direct comparison of shape --- .../phd_results/t_net_analysis/analysis.py | 26 +++++++++++++++---- 1 file changed, 21 insertions(+), 5 deletions(-) diff --git a/examples/phd_results/t_net_analysis/analysis.py b/examples/phd_results/t_net_analysis/analysis.py index 0b2226a3..89badb14 100644 --- a/examples/phd_results/t_net_analysis/analysis.py +++ b/examples/phd_results/t_net_analysis/analysis.py @@ -45,7 +45,7 @@ def plot_data(data_vals, namemod='', xlab=r'Irradiation Time $[s]$', actual_yiel plt.legend() plt.xscale(xscale) plt.xlabel(xlab) - plt.ylabel('Total Yield') + plt.ylabel(r'$\nu_d$') plt.savefig(f'total_yield{namemod}.png') plt.close() @@ -94,15 +94,31 @@ def plot_accumulated_data(accumulated_data): formatted_data, total_yields = _cleanup_data(data_vals) times = formatted_data['xs'] groups.append(group) - data.append(total_yields) - data = np.asarray(data).T + data.append(total_yields) + + post = PostProcess(None) + colors = post.get_colors(len(data)) + markers = post.markers + + for group in range(len(data)): + plt.plot(times, data[group], label=f"{groups[group]} Groups", + marker=markers[group % len(markers)], + color=colors[group], linestyle='--', + linewidth=0.75, + markersize=5) + plt.xlabel(r'Irradiation Time $[s]$') + plt.ylabel(r'$\nu_d$') + plt.xscale('log') + plt.legend() + plt.savefig(f'multiple_group_yields.png') + plt.close() - post = PostProcess(None) + data = np.asarray(data).T colors = post.get_colors(len(data)) - markers = post.markers + for i in range(len(data)): plt.plot(groups, data[i], label=f"T = {times[i]}", marker=markers[i % len(markers)], From c8601b6516359b67a14ad393529f7f442dc2dd0d Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Mon, 23 Mar 2026 11:19:18 -0500 Subject: [PATCH 101/259] Remove extra data files --- examples/phd_results/t_net_analysis/analysis.py | 11 +---------- .../t_net_analysis/dataNet/intermediate_10_all.csv | 7 ------- .../t_net_analysis/dataNet/intermediate_10_post.csv | 7 ------- .../t_net_analysis/dataNet/intermediate_5000_all.csv | 7 ------- .../t_net_analysis/dataNet/intermediate_5000_post.csv | 7 ------- 5 files changed, 1 insertion(+), 38 deletions(-) delete mode 100644 examples/phd_results/t_net_analysis/dataNet/intermediate_10_all.csv delete mode 100644 examples/phd_results/t_net_analysis/dataNet/intermediate_10_post.csv delete mode 100644 examples/phd_results/t_net_analysis/dataNet/intermediate_5000_all.csv delete mode 100644 examples/phd_results/t_net_analysis/dataNet/intermediate_5000_post.csv diff --git a/examples/phd_results/t_net_analysis/analysis.py b/examples/phd_results/t_net_analysis/analysis.py index 89badb14..10b2e0f2 100644 --- a/examples/phd_results/t_net_analysis/analysis.py +++ b/examples/phd_results/t_net_analysis/analysis.py @@ -187,13 +187,4 @@ def helper(pathmod): plot_data(all_data, f'_{group}_all', actual_yield=actual_yield) accumulated_data[group] = post_data - plot_accumulated_data(accumulated_data) - - post_data, all_data = build_data_dict() - plot_data(post_data, '_post', actual_yield=actual_yield) - plot_data(all_data, '_all', actual_yield=actual_yield) - - post_data, all_data = build_data_dict('./dataNumSteps5s/') - xlab = r'Number of Irradiation Time Steps' - plot_data(post_data, '_post_dt', xlab, actual_yield=actual_yield) - plot_data(all_data, '_all_dt', xlab, actual_yield=actual_yield) \ No newline at end of file + plot_accumulated_data(accumulated_data) \ No newline at end of file diff --git a/examples/phd_results/t_net_analysis/dataNet/intermediate_10_all.csv b/examples/phd_results/t_net_analysis/dataNet/intermediate_10_all.csv deleted file mode 100644 index 57d44509..00000000 --- a/examples/phd_results/t_net_analysis/dataNet/intermediate_10_all.csv +++ /dev/null @@ -1,7 +0,0 @@ -yield,sigma yield,half_life,sigma half_life -0.000590657042474172,0.0,55.22855914277848,0.0 -0.003143630024285896,0.0,22.50906241870279,0.0 -0.002381745113846482,0.0,6.819401375171663,0.0 -0.007370522187930403,0.0,2.2763731423163236,0.0 -0.003644299325152716,0.0,0.5119327097328897,0.0 -0.00181196679425562,0.0,0.04260770816604993,0.0 diff --git a/examples/phd_results/t_net_analysis/dataNet/intermediate_10_post.csv b/examples/phd_results/t_net_analysis/dataNet/intermediate_10_post.csv deleted file mode 100644 index 766da00e..00000000 --- a/examples/phd_results/t_net_analysis/dataNet/intermediate_10_post.csv +++ /dev/null @@ -1,7 +0,0 @@ -yield,sigma yield,half_life,sigma half_life -0.0005871835779444647,0.0,55.28829353296257,0.0 -0.003093321810460667,0.0,22.659376804549193,0.0 -0.001980090377016196,0.0,7.5618884984067165,0.0 -0.006455245259384976,0.0,2.631845502166193,0.0 -0.004435937727030305,0.0,0.7925264492900274,0.0 -0.0021082086790258654,0.0,0.15561858787854457,0.0 diff --git a/examples/phd_results/t_net_analysis/dataNet/intermediate_5000_all.csv b/examples/phd_results/t_net_analysis/dataNet/intermediate_5000_all.csv deleted file mode 100644 index 46ed28e9..00000000 --- a/examples/phd_results/t_net_analysis/dataNet/intermediate_5000_all.csv +++ /dev/null @@ -1,7 +0,0 @@ -yield,sigma yield,half_life,sigma half_life -0.0005769432314149624,0.0,55.483560984400675,0.0 -0.0030079663084403396,0.0,22.98187064507782,0.0 -0.002007667290188075,0.0,8.104042456019306,0.0 -0.007062770248202484,0.0,2.532617709184425,0.0 -0.0043721490792248945,0.0,0.6551731827511815,0.0 -0.0016774940235978254,0.0,0.12075250452387626,0.0 diff --git a/examples/phd_results/t_net_analysis/dataNet/intermediate_5000_post.csv b/examples/phd_results/t_net_analysis/dataNet/intermediate_5000_post.csv deleted file mode 100644 index 85ff325a..00000000 --- a/examples/phd_results/t_net_analysis/dataNet/intermediate_5000_post.csv +++ /dev/null @@ -1,7 +0,0 @@ -yield,sigma yield,half_life,sigma half_life -0.0005763522159885184,0.0,55.492507727928015,0.0 -0.0029906195874708163,0.0,23.0246793793513,0.0 -0.0018952694312858334,0.0,8.403478370299641,0.0 -0.006937292089908312,0.0,2.624193496912962,0.0 -0.0044262137281153606,0.0,0.7107029172360932,0.0 -0.0018453088259980548,0.0,0.13754303774294438,0.0 From 5a04fac142d207938a311c04897c525b338413a0 Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Mon, 23 Mar 2026 13:29:26 -0500 Subject: [PATCH 102/259] Restructure data download and add JEFF 40 OMC chain --- download_data.sh | 184 ++++++++++++++++++++++++++--------------------- 1 file changed, 101 insertions(+), 83 deletions(-) diff --git a/download_data.sh b/download_data.sh index ab23a4f1..74762a5c 100644 --- a/download_data.sh +++ b/download_data.sh @@ -17,76 +17,102 @@ roman_to_int() { esac } +download_endf_data() { + local ENDF_VERSION="$1" + + local LOWERCASE_VERSION + LOWERCASE_VERSION=$(echo "${ENDF_VERSION//./}" | tr '[:upper:]' '[:lower:]') + + local ROMAN_PART="${LOWERCASE_VERSION//[0-9]/}" + local DIGIT_PART="${LOWERCASE_VERSION//[^0-9]/}" + local INTEGER_VALUE + INTEGER_VALUE=$(roman_to_int "$ROMAN_PART") + LOWERCASE_VERSION="${INTEGER_VALUE}${DIGIT_PART}" + + local ENDF_DIR="${DATA_DIR}/endfb${LOWERCASE_VERSION}" + local NFY_DIR="${ENDF_DIR}" + local XS_DIR="${ENDF_DIR}/xs" + local decay_DIR="${ENDF_DIR}" + mkdir -p "$NFY_DIR" + mkdir -p "$XS_DIR" + + local SEPARATOR decay_SEPARATOR XS_URL + if [[ "${ENDF_VERSION}" == "VII.1" ]]; then + SEPARATOR="-" + decay_SEPARATOR="-" + XS_URL="https://anl.box.com/shared/static/9igk353zpy8fn9ttvtrqgzvw1vtejoz6.xz" + elif [[ "${ENDF_VERSION}" == "VIII.0" ]]; then + SEPARATOR="_" + decay_SEPARATOR="_" + XS_URL="https://anl.box.com/shared/static/uhbxlrx7hvxqw27psymfbhi7bx7s6u6a.xz" + else + echo "Unsupported ENDF version: ${ENDF_VERSION}" >&2 + return 1 + fi + + # NFY data + local NFY_ZIP_NAME="ENDF-B-${ENDF_VERSION}${SEPARATOR}nfy.zip" + local NFY_URL="https://www.nndc.bnl.gov/endf-b${INTEGER_VALUE}.${DIGIT_PART}/zips/${NFY_ZIP_NAME}" + local TEMP_ZIP="${NFY_DIR}/${NFY_ZIP_NAME}" + echo "Downloading NFY data for ENDF/B-${ENDF_VERSION}..." + echo "Accessing ${NFY_URL}" + wget -4 --show-progress -O "$TEMP_ZIP" "$NFY_URL" + echo "Extracting NFY data..." + unzip "$TEMP_ZIP" -d "$NFY_DIR" + rm "$TEMP_ZIP" + if [[ "${ENDF_VERSION}" == "VIII.0" ]]; then + mv "${NFY_DIR}/ENDF-B-${ENDF_VERSION}${SEPARATOR}nfy" "${NFY_DIR}/nfy" + fi + echo "NFY data handled" + + # Decay data + local decay_ZIP_NAME="ENDF-B-${ENDF_VERSION}${decay_SEPARATOR}decay.zip" + local decay_URL="https://www.nndc.bnl.gov/endf-b${INTEGER_VALUE}.${DIGIT_PART}/zips/${decay_ZIP_NAME}" + TEMP_ZIP="${decay_DIR}/${decay_ZIP_NAME}" + echo "Downloading decay data for ENDF/B-${ENDF_VERSION}..." + echo "Accessing ${decay_URL}" + wget -4 --show-progress -O "$TEMP_ZIP" "$decay_URL" + echo "Extracting decay data..." + unzip "$TEMP_ZIP" -d "$decay_DIR" + rm "$TEMP_ZIP" + if [[ "${ENDF_VERSION}" == "VIII.0" ]]; then + mv "${decay_DIR}/ENDF-B-${ENDF_VERSION}${decay_SEPARATOR}decay" "${decay_DIR}/decay" + fi + echo "Decay data handled" + + # Cross section data + TEMP_ZIP="${XS_DIR}/XS.tar.xz" + echo "Downloading cross section data for ENDF/B-${ENDF_VERSION}..." + wget -4 --show-progress -O "$TEMP_ZIP" "$XS_URL" + echo "Extracting XS data" + tar -xvf "$TEMP_ZIP" -C "$XS_DIR" --strip-components=1 + rm "$TEMP_ZIP" + echo "Cross section data handled" + + # OpenMC chain data + local OPENMC_DIR="${ENDF_DIR}/omcchain/" + mkdir -p "$OPENMC_DIR" + echo "Getting OpenMC chain data for ENDF/B-${ENDF_VERSION}..." + wget -4 -q --show-progress -O "${OPENMC_DIR}chain_casl_pwr.xml" "https://anl.box.com/shared/static/3nvnasacm2b56716oh5hyndxdyauh5gs.xml" + wget -4 -q --show-progress -O "${OPENMC_DIR}chain_casl_sfr.xml" "https://anl.box.com/shared/static/9fqbq87j0tx4m6vfl06pl4ccc0hwamg9.xml" + if [[ "${ENDF_VERSION}" == "VII.1" ]]; then + wget -4 -q --show-progress -O "${OPENMC_DIR}chain_endfb71_pwr.xml" "https://anl.box.com/shared/static/os1u896bwsbopurpgas72bi6aij2zzdc.xml" + wget -4 -q --show-progress -O "${OPENMC_DIR}chain_endfb71_sfr.xml" "https://anl.box.com/shared/static/9058zje1gm0ekd93hja542su50pccvj0.xml" + elif [[ "${ENDF_VERSION}" == "VIII.0" ]]; then + wget -4 -q --show-progress -O "${OPENMC_DIR}chain_endfb80_pwr.xml" "https://anl.box.com/shared/static/nyezmyuofd4eqt6wzd626lqth7wvpprr.xml" + wget -4 -q --show-progress -O "${OPENMC_DIR}chain_endfb80_sfr.xml" "https://anl.box.com/shared/static/x3kp739hr5upmeqpbwx9zk9ep04fnmtg.xml" + fi + echo "OpenMC chain data collected" +} + DATA_DIR="mosden/data/unprocessed" +rm -rf "$DATA_DIR" mkdir -p "$DATA_DIR" # ENDF -------------------------------------------------------------------- -ENDF_VERSION="VII.1" -ALLOWED_VERSIONS=("VIII.0" "VII.1") - -if [[ ! " ${ALLOWED_VERSIONS[*]} " =~ " ${ENDF_VERSION} " ]]; then - echo "Error: Invalid ENDF version '${ENDF_VERSION}'" - echo "Allowed versions: ${ALLOWED_VERSIONS[*]}" - exit 1 -fi - -LOWERCASE_VERSION=$(echo "${ENDF_VERSION//./}" | tr '[:upper:]' '[:lower:]') - -ROMAN_PART="${LOWERCASE_VERSION//[0-9]/}" -DIGIT_PART="${LOWERCASE_VERSION//[^0-9]/}" -INTEGER_VALUE=$(roman_to_int "$ROMAN_PART") -LOWERCASE_VERSION="${INTEGER_VALUE}${DIGIT_PART}" - -ENDF_DIR="${DATA_DIR}/endfb${LOWERCASE_VERSION}" -NFY_DIR="${ENDF_DIR}" -XS_DIR="${ENDF_DIR}/xs" -decay_DIR="${ENDF_DIR}" -mkdir -p "$NFY_DIR" -mkdir -p "$XS_DIR" - -if [[ "${ENDF_VERSION}" == "VII.1" ]]; then - SEPARATOR="-" - decay_SEPARATOR="-" - XS_URL="https://anl.box.com/shared/static/9igk353zpy8fn9ttvtrqgzvw1vtejoz6.xz" -elif [[ "${ENDF_VERSION}" == "VIII.0" ]]; then - SEPARATOR="_" - decay_SEPARATOR="_" - XS_URL="https://anl.box.com/shared/static/uhbxlrx7hvxqw27psymfbhi7bx7s6u6a.xz" -fi - -NFY_ZIP_NAME="ENDF-B-${ENDF_VERSION}${SEPARATOR}nfy.zip" -NFY_URL="https://www.nndc.bnl.gov/endf-b${INTEGER_VALUE}.${DIGIT_PART}/zips/${NFY_ZIP_NAME}" - -echo "Downloading NFY data for ENDF/B-${ENDF_VERSION}..." -TEMP_ZIP="${NFY_DIR}/${NFY_ZIP_NAME}" -echo "Accessing ${NFY_URL}" -wget -4 --show-progress -O "$TEMP_ZIP" "$NFY_URL" -echo "Extracting NFY data..." -unzip "$TEMP_ZIP" -d "$NFY_DIR" -rm "$TEMP_ZIP" -echo "NFY data handled" - -decay_ZIP_NAME="ENDF-B-${ENDF_VERSION}${decay_SEPARATOR}decay.zip" -decay_URL="https://www.nndc.bnl.gov/endf-b${INTEGER_VALUE}.${DIGIT_PART}/zips/${decay_ZIP_NAME}" - -echo "Downloading decay data for ENDF/B-${ENDF_VERSION}..." -TEMP_ZIP="${decay_DIR}/${decay_ZIP_NAME}" -echo "Accessing ${decay_URL}" -wget -4 --show-progress -O "$TEMP_ZIP" "$decay_URL" -echo "Extracting decay data..." -unzip "$TEMP_ZIP" -d "$decay_DIR" -rm "$TEMP_ZIP" -echo "Decay data handled" - - -echo "Downloading cross section data for ENDF/B-${ENDF_VERSION}..." -TEMP_ZIP="${XS_DIR}/XS.tar.xz" -wget -4 --show-progress -O "$TEMP_ZIP" "$XS_URL" -echo "Extracting XS data" -tar -xvf "$TEMP_ZIP" -C "$XS_DIR" --strip-components=1 -rm "$TEMP_ZIP" -echo "Cross section data handled" +download_endf_data "VII.1" +download_endf_data "VIII.0" # /ENDF -------------------------------------------------------------------- @@ -94,13 +120,7 @@ echo "Cross section data handled" # JEFF -------------------------------------------------------------------- JEFF_VERSION="3.1.1" -ALLOWED_VERSIONS=("3.1.1") -if [[ ! " ${ALLOWED_VERSIONS[*]} " =~ " ${JEFF_VERSION} " ]]; then - echo "Error: Invalid JEFF version '${JEFF_VERSION}'" - echo "Allowed versions: ${ALLOWED_VERSIONS[*]}" - exit 1 -fi JEFF_VERSION_NOP="${JEFF_VERSION//./}" JEFF_DIR="${DATA_DIR}/jeff${JEFF_VERSION_NOP}" @@ -125,6 +145,16 @@ rm "$NFY_DIR"/*.zip echo "NFY data handled" +JEFF_VERSION="4.0" +JEFF_VERSION_NOP="${JEFF_VERSION//./}" +JEFF_DIR="${DATA_DIR}/jeff${JEFF_VERSION_NOP}" +OPENMC_DIR="${JEFF_DIR}/omcchain/" +mkdir -p "$OPENMC_DIR" +echo "Getting OpenMC chain data for JEFF-4.0..." +wget -4 -q --show-progress -O "${OPENMC_DIR}chain_jeff40_pwr.xml" "https://anl.box.com/shared/static/qpcfyrctoffb34m4dwyxz2vgp8tim8e7.xml" +wget -4 -q --show-progress -O "${OPENMC_DIR}chain_jeff40_sfr.xml" "https://anl.box.com/shared/static/p6cettxz3ovbp151qg7bc3k9ov0zt3wm.xml" +echo "OpenMC chain data collected" + # /JEFF -------------------------------------------------------------------- # IAEA -------------------------------------------------------------------- @@ -139,15 +169,3 @@ echo "Saved to $IAEA_FILE" # /IAEA -------------------------------------------------------------------- -# OpenMC -------------------------------------------------------------------- -OPENMC_DIR="${ENDF_DIR}/omcchain/" -mkdir -p "$OPENMC_DIR" -wget -4 -q --show-progress -O "${OPENMC_DIR}chain_casl_pwr.xml" "https://anl.box.com/shared/static/3nvnasacm2b56716oh5hyndxdyauh5gs.xml" -wget -4 -q --show-progress -O "${OPENMC_DIR}chain_casl_sfr.xml" "https://anl.box.com/shared/static/9fqbq87j0tx4m6vfl06pl4ccc0hwamg9.xml" -if [[ "${ENDF_VERSION}" == "VII.1" ]]; then - wget -4 -q --show-progress -O "${OPENMC_DIR}chain_endfb71_pwr.xml" "https://anl.box.com/shared/static/os1u896bwsbopurpgas72bi6aij2zzdc.xml" - wget -4 -q --show-progress -O "${OPENMC_DIR}chain_endfb71_sfr.xml" "https://anl.box.com/shared/static/9058zje1gm0ekd93hja542su50pccvj0.xml" -elif [[ "${ENDF_VERSION}" == "VIII.0" ]]; then - wget -4 -q --show-progress -O "${OPENMC_DIR}chain_endfb71_pwr.xml" "https://anl.box.com/shared/static/nyezmyuofd4eqt6wzd626lqth7wvpprr.xml" - wget -4 -q --show-progress -O "${OPENMC_DIR}chain_endfb71_sfr.xml" "https://anl.box.com/shared/static/x3kp739hr5upmeqpbwx9zk9ep04fnmtg.xml" -fi From fa9b077946237b862098b3f88ca3418eb675b51d Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Mon, 23 Mar 2026 13:46:28 -0500 Subject: [PATCH 103/259] Update schema for new data and JEFF 4.0 data --- download_data.sh | 77 +++++++++++++++++------------- mosden/templates/input_schema.json | 2 +- 2 files changed, 44 insertions(+), 35 deletions(-) diff --git a/download_data.sh b/download_data.sh index 74762a5c..6910b4f7 100644 --- a/download_data.sh +++ b/download_data.sh @@ -17,6 +17,47 @@ roman_to_int() { esac } +download_jeff_data() { + local JEFF_VERSION="$1" + + local JEFF_VERSION_NOP="${JEFF_VERSION//./}" + local JEFF_DIR="${DATA_DIR}/jeff${JEFF_VERSION_NOP}" + local NFY_DIR="${JEFF_DIR}/nfpy/" + mkdir -p "$NFY_DIR" + echo "Saving data to ${NFY_DIR}" + + local JEFF_URL + if [[ "${JEFF_VERSION}" == "3.1.1" || "${JEFF_VERSION}" == "4.0" ]]; then + JEFF_URL="https://www-nds.iaea.org/public/download-endf/JEFF-${JEFF_VERSION}/nfpy/" + else + echo "Unsupported JEFF version: ${JEFF_VERSION}" >&2 + return 1 + fi + + echo "Downloading NFY data for JEFF-${JEFF_VERSION}..." + echo "Accessing ${JEFF_URL}" + wget -4 --show-progress --recursive --no-parent --accept "*.zip" --no-host-directories --cut-dirs=3 -P "${JEFF_DIR}" "$JEFF_URL" + + echo "Extracting NFY data..." + for f in "$NFY_DIR"/*.zip; do + unzip "$f" -d "$NFY_DIR" + + + if [[ "${JEFF_VERSION}" == "4.0" ]]; then + OPENMC_DIR="${JEFF_DIR}/omcchain/" + mkdir -p "$OPENMC_DIR" + echo "Getting OpenMC chain data for JEFF-4.0..." + wget -4 -q --show-progress -O "${OPENMC_DIR}chain_jeff40_pwr.xml" "https://anl.box.com/shared/static/qpcfyrctoffb34m4dwyxz2vgp8tim8e7.xml" + wget -4 -q --show-progress -O "${OPENMC_DIR}chain_jeff40_sfr.xml" "https://anl.box.com/shared/static/p6cettxz3ovbp151qg7bc3k9ov0zt3wm.xml" + echo "OpenMC chain data collected" + fi + done + + echo "Removing zip files..." + rm "$NFY_DIR"/*.zip + echo "NFY data handled" +} + download_endf_data() { local ENDF_VERSION="$1" @@ -119,41 +160,9 @@ download_endf_data "VIII.0" # JEFF -------------------------------------------------------------------- -JEFF_VERSION="3.1.1" -JEFF_VERSION_NOP="${JEFF_VERSION//./}" - -JEFF_DIR="${DATA_DIR}/jeff${JEFF_VERSION_NOP}" -NFY_DIR="${JEFF_DIR}/nfpy/" -mkdir -p "$NFY_DIR" -echo "Saving data to ${NFY_DIR}" - -if [[ "${JEFF_VERSION}" == "3.1.1" ]]; then - JEFF_URL="https://www-nds.iaea.org/public/download-endf/JEFF-${JEFF_VERSION}/nfpy/" -fi - - -echo "Downloading NFY data for JEFF-${JEFF_VERSION}..." -echo "Accessing ${JEFF_URL}" -wget -4 --show-progress --recursive --no-parent --accept "*.zip" --no-host-directories --cut-dirs=3 -P "${JEFF_DIR}" "$JEFF_URL" -echo "Extracting NFY data..." -for f in "$NFY_DIR"/*.zip; do - unzip "$f" -d "$NFY_DIR" -done -echo "Removing zip files..." -rm "$NFY_DIR"/*.zip -echo "NFY data handled" - - -JEFF_VERSION="4.0" -JEFF_VERSION_NOP="${JEFF_VERSION//./}" -JEFF_DIR="${DATA_DIR}/jeff${JEFF_VERSION_NOP}" -OPENMC_DIR="${JEFF_DIR}/omcchain/" -mkdir -p "$OPENMC_DIR" -echo "Getting OpenMC chain data for JEFF-4.0..." -wget -4 -q --show-progress -O "${OPENMC_DIR}chain_jeff40_pwr.xml" "https://anl.box.com/shared/static/qpcfyrctoffb34m4dwyxz2vgp8tim8e7.xml" -wget -4 -q --show-progress -O "${OPENMC_DIR}chain_jeff40_sfr.xml" "https://anl.box.com/shared/static/p6cettxz3ovbp151qg7bc3k9ov0zt3wm.xml" -echo "OpenMC chain data collected" +download_jeff_data "3.1.1" +download_jeff_data "4.0" # /JEFF -------------------------------------------------------------------- diff --git a/mosden/templates/input_schema.json b/mosden/templates/input_schema.json index 8cce33c1..a6e9973d 100644 --- a/mosden/templates/input_schema.json +++ b/mosden/templates/input_schema.json @@ -103,7 +103,7 @@ "fission_yield": { "type": "string", "description": "Path to the fission yield data", - "pattern": "^(?:.*/)?(endfb71/nfy/|jeff311/nfpy/|omcchain/chain_test.xml|omcchain/four_dnp_test.xml)$" + "pattern": "^(?:.*/)?(jeff40/nfpy/|endfb71/nfy/|jeff311/nfpy/|omcchain/chain_test.xml|omcchain/four_dnp_test.xml)$" }, "decay_time_spacing": { "type": "string", From ffd110ff02bbdc7953a63da64f1d8be5579e6f4b Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Mon, 23 Mar 2026 14:37:15 -0500 Subject: [PATCH 104/259] Update schema to handle new data --- mosden/templates/input_schema.json | 6 +++--- 1 file changed, 3 insertions(+), 3 deletions(-) diff --git a/mosden/templates/input_schema.json b/mosden/templates/input_schema.json index a6e9973d..153bd738 100644 --- a/mosden/templates/input_schema.json +++ b/mosden/templates/input_schema.json @@ -84,7 +84,7 @@ "description": "Path to the half-life unprocessed data", "oneOf": [ { - "enum": ["iaea/eval.csv", "endfb71/decay/", "iaea/eval_test.csv", "iaea/four_dnp_test.csv"] + "enum": ["iaea/eval.csv", "endfb80/decay/", "endfb71/decay/", "iaea/eval_test.csv", "iaea/four_dnp_test.csv"] }, { "pattern": "^([A-Za-z0-9]+/)?omcchain/.+\\.xml" @@ -98,12 +98,12 @@ "emission_probability": { "type": "string", "description": "Path to the emission probability data", - "enum": ["iaea/eval.csv", "endfb71/decay/", "iaea/eval_test.csv", "iaea/four_dnp_test.csv"] + "enum": ["iaea/eval.csv", "endfb80/decay/", "endfb71/decay/", "iaea/eval_test.csv", "iaea/four_dnp_test.csv"] }, "fission_yield": { "type": "string", "description": "Path to the fission yield data", - "pattern": "^(?:.*/)?(jeff40/nfpy/|endfb71/nfy/|jeff311/nfpy/|omcchain/chain_test.xml|omcchain/four_dnp_test.xml)$" + "pattern": "^(?:.*/)?(jeff40/nfpy/|endfb80/nfy/|endfb71/nfy/|jeff311/nfpy/|omcchain/chain_test.xml|omcchain/four_dnp_test.xml)$" }, "decay_time_spacing": { "type": "string", From 2931c5c6df6373c8dbdba01443ddb09b07f0d1c4 Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Mon, 23 Mar 2026 15:47:08 -0500 Subject: [PATCH 105/259] Switch to jeff4.0 --- examples/phd_results/t_net_analysis/generate_data.py | 2 +- examples/phd_results/t_net_analysis/input.json | 3 ++- 2 files changed, 3 insertions(+), 2 deletions(-) diff --git a/examples/phd_results/t_net_analysis/generate_data.py b/examples/phd_results/t_net_analysis/generate_data.py index 3368f4c7..f75ed412 100644 --- a/examples/phd_results/t_net_analysis/generate_data.py +++ b/examples/phd_results/t_net_analysis/generate_data.py @@ -6,7 +6,7 @@ if __name__ == "__main__": - num_groups = [4, 6, 8, 10, 12] + num_groups = [4, 5, 6, 7, 8, 9, 12, 20, 40, 80, 100] irrad_times = [1e-4, 1e-3, 1e-2, 1e-1, 1, 1e1, 1e2, 1e3, 1e4] for group in num_groups: output_dir = f'./dataNet_{group}' diff --git a/examples/phd_results/t_net_analysis/input.json b/examples/phd_results/t_net_analysis/input.json index 0d838022..dad119a3 100644 --- a/examples/phd_results/t_net_analysis/input.json +++ b/examples/phd_results/t_net_analysis/input.json @@ -16,7 +16,7 @@ "half_life": "iaea/eval.csv", "cross_section": "", "emission_probability": "iaea/eval.csv", - "fission_yield": "jeff311/nfpy/", + "fission_yield": "jeff40/nfpy/", "decay_time_spacing": "log", "temperature_K": 920, "density_g_cm3": 2.3275, @@ -53,6 +53,7 @@ "batches": 10, "source": 1000.0, "run_omc": true, + "chain": "jeff40/omcchain/chain_jeff40_pwr.xml", "write_fission_json": true, "write_nuyield_json": true, "max_timestep": 10000000000.0 From 566f4b6fc08a2a589d24d4e92a6295d2ce1928ef Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Tue, 24 Mar 2026 11:14:36 -0500 Subject: [PATCH 106/259] Increase half life noice to account for 100 second half-life --- mosden/groupfit.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/mosden/groupfit.py b/mosden/groupfit.py index 73abac7b..d28d919f 100644 --- a/mosden/groupfit.py +++ b/mosden/groupfit.py @@ -561,7 +561,7 @@ def _nonlinear_least_squares(self, if self.irrad_type == 'intermediate': setup_noise = np.random.uniform(1e-2, 1, self.num_groups) y_noise = 0.9 * counts[0] * setup_noise / np.sum(setup_noise) - hl_noise = 10 ** np.random.uniform(-2, 1, size=self.num_groups) + hl_noise = 10 ** np.random.uniform(-2, 2, size=self.num_groups) x0 = np.concatenate((np.ones(self.num_groups) * y_noise, np.ones(self.num_groups) * hl_noise)) starts.append(x0) From 27970e765b7afbee13e65b7fbcace3769bed74e7 Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Tue, 24 Mar 2026 11:26:15 -0500 Subject: [PATCH 107/259] Update example inputs --- examples/high_fidelity/input.json | 13 ++++++----- examples/iaea_matching/input.json | 4 ++-- examples/zero_dnps/input.json | 38 +++++++++++++++++++++++-------- 3 files changed, 37 insertions(+), 18 deletions(-) diff --git a/examples/high_fidelity/input.json b/examples/high_fidelity/input.json index 2c0a8ad2..756407ca 100644 --- a/examples/high_fidelity/input.json +++ b/examples/high_fidelity/input.json @@ -12,10 +12,10 @@ "log_level": 20 }, "data_options": { - "half_life": "endfb71/decay/", + "half_life": "iaea/eval.csv", "cross_section": "", - "emission_probability": "endfb71/decay/", - "fission_yield": "endfb71/nfy/", + "emission_probability": "iaea/eval.csv", + "fission_yield": "jeff40/nfpy/", "decay_time_spacing": "log", "temperature_K": 920, "density_g_cm3": 2.3275, @@ -25,7 +25,7 @@ }, "debug_dnps": { "Zz99": { - "yield": 1.0, + "yield": 0.0, "half_life_s": 10, "pn": 1, "parent": { @@ -49,15 +49,16 @@ "reprocessing": false }, "base_removal_scaling": 0.5, - "incore_s": 50, + "incore_s": 1e-5, "excore_s": 0, - "net_irrad_s": 5000, + "net_irrad_s": 1e-5, "decay_time": 600, "num_decay_times": 100, "openmc_settings": { "nps": 5000, "batches": 10, "source": 1e3, + "chain": "jeff40/omcchain/chain_jeff40_pwr.xml", "run_omc": true, "write_fission_json": true, "write_nuyield_json": true, diff --git a/examples/iaea_matching/input.json b/examples/iaea_matching/input.json index 80785dcd..db7aaec1 100644 --- a/examples/iaea_matching/input.json +++ b/examples/iaea_matching/input.json @@ -33,9 +33,9 @@ "Xe": 0.0 }, "irrad_type": "saturation", - "incore_s": 10, + "incore_s": 4200, "excore_s": 0, - "net_irrad_s": 420, + "net_irrad_s": 4200, "decay_time": 120, "num_decay_times": 800 }, diff --git a/examples/zero_dnps/input.json b/examples/zero_dnps/input.json index 24c70593..6c2dcf47 100644 --- a/examples/zero_dnps/input.json +++ b/examples/zero_dnps/input.json @@ -1,5 +1,5 @@ { - "name": "Four DNPs", + "name": "Zero DNPs", "file_options": { "overwrite": { "preprocessing": false, @@ -25,13 +25,31 @@ "U235": 1.0 }, "debug_dnps": { - "Zz99": { - "yield": 0.5, - "half_life_s": 3, - "pn": 1, + "Zi137": { + "yield": 0.0262236, + "half_life_s": 24.5, + "pn": 0.0714, "parent": { - "yield": 0.5, - "half_life_s": 0.3 + "yield": 0.003924, + "half_life_s": 2.49 + } + }, + "Zbr87": { + "yield": 0.0127177, + "half_life_s": 55, + "pn": 0.026, + "parent": { + "yield": 0.00731, + "half_life_s": 5.29 + } + }, + "Zrb94": { + "yield": 0.0156647, + "half_life_s": 2.702, + "pn": 0.105, + "parent": { + "yield": 0.000868149, + "half_life_s": 0.212 } } } @@ -44,13 +62,13 @@ "reprocessing": { "Xe": 0.0 }, - "irrad_type": "intermediate", + "irrad_type": "pulse", "spatial_scaling": { "flux": false, "reprocessing": false }, "base_removal_scaling": 0.5, - "incore_s": 1e-6, + "incore_s": 1e-5, "excore_s": 0, "net_irrad_s": 1e-5, "decay_time": 600, @@ -66,7 +84,7 @@ } }, "group_options": { - "num_groups": 1, + "num_groups": 3, "method": "nlls", "parameter_guesses": 10, "samples": 1, From a1b7a9d3814a9ed83ff18d26448e88c241b39732 Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Tue, 24 Mar 2026 11:26:26 -0500 Subject: [PATCH 108/259] Add fast pulse results to prk --- examples/phd_results/prk/input.json | 20 ++++++++++++++++---- 1 file changed, 16 insertions(+), 4 deletions(-) diff --git a/examples/phd_results/prk/input.json b/examples/phd_results/prk/input.json index 6044b36d..c3dc764f 100644 --- a/examples/phd_results/prk/input.json +++ b/examples/phd_results/prk/input.json @@ -2,16 +2,18 @@ "p_selections": ["pulse (12 Group)", "pulse (6 Group)"], "s_selections": ["saturation (12 Group)", "saturation (6 Group)"], "12_selections": ["saturation (12 Group)", "pulse (12 Group)"], - "selections": ["saturation (6 Group)", "pulse (6 Group)"], + "selections": ["fast pulse (9 Group)", "fast pulse (6 Group)"], + "_selections": ["saturation (6 Group)", "pulse (6 Group)"], "o_selections": ["pulse", "intermediate", "intermediate [all]", "saturation", "saturation [all]"], "problem": "step_relative", "euler_mode": "backward", "time_steps": [1e-3], - "tf": 60, - "step_relative_insertion": 0.2, + "tf": 50, + "step_relative_insertion": 0.25, "rho_max_dollars": 0.5, "neutrons_per_fission": 2.4, - "gen_time": 2e-5, + "gen_time": 2e-7, + "old_gen_time": 2e-5, "p0": 1, "rho_amplitude": 750e-5, "rho_relative_amplitude": 0.25, @@ -21,6 +23,16 @@ "yields": [0.00052, 0.00346, 0.00310, 0.00624, 0.00182, 0.00066], "hls": [55.89897, 22.72614, 6.24457, 2.30281, 0.60802, 0.23028] }, + "fast pulse (6 Group)": { + "description": "Calculated using IAEA and JEFF40 data, post-irrad, (0.00001,0) 0.00001 second irradiation, 100 decay times, 600 decay seconds", + "yields": [0.0005021036685,0.00341460966,0.00229365229,0.006027459811,0.002630153928,0.001228086463], + "hls": [55.252769,22.90792575,6.728068058,2.402756955,0.7460524157,0.2679809025] + }, + "fast pulse (9 Group)": { + "description": "Calculated using IAEA and JEFF40 data, post-irrad, (0.00001,0) 0.00001 second irradiation, 100 decay times, 600 decay seconds", + "yields": [0.000479918173,0.002619743119,0.001167517464,0.002326700163,0.003923848714,0.002732455985,0.00181996685,0.0009886137857,3.76E-05], + "hls": [55.69299478,24.42762052,16.26819865,5.50448835,2.617191233,1.499191457,0.5528582752,0.278688309,0.09965688659] + }, "saturation (12 Group)": { "description": "Calculated using ENDFB71 data, post-irrad, (0.00001,0) 0.00001 second irradiation, 100 decay times, 600 decay seconds", "yields": [0.0005656472215,0.002198207066,0.001338003382,0.001114144677,0.00179710018,0.003603305635,0.002678179231,0.001702561476,0.002182161502,0.0005623352814,0.0007872725729,0.0001679907224], From 73402e92e1e083fe1f67d1bd4d7d6a4efd43a41d Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Tue, 24 Mar 2026 11:27:01 -0500 Subject: [PATCH 109/259] Change to title case and add colors --- examples/phd_results/prk/main.py | 22 +++++++++++++--------- 1 file changed, 13 insertions(+), 9 deletions(-) diff --git a/examples/phd_results/prk/main.py b/examples/phd_results/prk/main.py index 09eeb55d..c84f7e77 100644 --- a/examples/phd_results/prk/main.py +++ b/examples/phd_results/prk/main.py @@ -94,20 +94,24 @@ def _conc_plot(self, time, conc_data): def _power_reativity_plot(self, time, power, reactivity_data): + colors = self.post.get_colors(2) fig, ax1 = plt.subplots() - color = 'tab:red' + color = colors[0] ax1.set_xlabel('Time [s]') - ax1.set_ylabel('Relative Power', color=color) + ax1.set_ylabel(r'$n(t)/n_0$', color=color) ax1.plot(time, power, color=color) + ax1.set_yscale('log') ax1.tick_params(axis='y', labelcolor=color) ax2 = ax1.twinx() - color = 'tab:blue' - ax2.set_ylabel('Reactivity [pcm]', color=color) - ax2.plot(time, np.asarray(reactivity_data)*1e5, color=color) + color = colors[1] + ax2.set_ylabel('Reactivity [\$]', color=color) + time = np.append([0], time) + reactivity_data = np.append([0], reactivity_data) + ax2.plot(time, np.asarray(reactivity_data)/self.betaeff, color=color) ax2.tick_params(axis='y', labelcolor=color) fig.tight_layout() @@ -196,7 +200,7 @@ def compare_results(self, full_data): linestyles = [':', '-.', '--'] colors = self.post.get_colors(len(full_data)) for pi, (problem, data) in enumerate(full_data.items()): - label: str = problem.capitalize() + label: str = problem.title() times = data['times'] power = data['power'] plt.plot(times, power, label=label, linestyle=linestyles[pi%len(linestyles)], color=colors[pi]) @@ -210,7 +214,7 @@ def compare_results(self, full_data): for pi, (problem, data) in enumerate(full_data.items()): - label: str = problem.capitalize() + label: str = problem.title() times = data['times'] power = np.asarray(data['power']) if pi == 0: @@ -227,7 +231,7 @@ def compare_results(self, full_data): for group in range(self.num_groups): for pi, (problem, data) in enumerate(full_data.items()): - label: str = problem.capitalize() + label: str = problem.title() times = data['times'] concs = data['concs'] conc = np.asarray(concs)[:, group] @@ -241,7 +245,7 @@ def compare_results(self, full_data): plt.close() for pi, (problem, data) in enumerate(full_data.items()): - label: str = problem.capitalize() + label: str = problem.title() times = data['times'] power = np.asarray(data['power']) base_rho = data['reactivity'] From b5016d971cd43e55449b5a43ddfe0cbcde062ce9 Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Tue, 24 Mar 2026 13:05:25 -0500 Subject: [PATCH 110/259] Improve colors --- .../phd_results/t_net_analysis/analysis.py | 54 +++++++++++++++---- 1 file changed, 43 insertions(+), 11 deletions(-) diff --git a/examples/phd_results/t_net_analysis/analysis.py b/examples/phd_results/t_net_analysis/analysis.py index 10b2e0f2..140214ab 100644 --- a/examples/phd_results/t_net_analysis/analysis.py +++ b/examples/phd_results/t_net_analysis/analysis.py @@ -31,17 +31,20 @@ def _cleanup_data(data_vals): def plot_data(data_vals, namemod='', xlab=r'Irradiation Time $[s]$', actual_yield=None): if data_vals == {}: return None + + post = PostProcess(None) + markers = post.markers formatted_data, total_yields = _cleanup_data(data_vals) xscale = 'log' max_index = total_yields.index(max(total_yields)) min_index = total_yields.index(min(total_yields)) - markers = ['.', '*', '>', '<', 'v', '^'] + colors = post.get_colors(1) print(f'Max - min yield of {round(1e5*(total_yields[max_index] - total_yields[min_index]), 4)} pcm ({namemod})') - plt.plot(formatted_data['xs'], total_yields, label="Yields") + plt.plot(formatted_data['xs'], total_yields, label="Yields", color=colors[0]) if actual_yield: plt.hlines(actual_yield, min(formatted_data['xs']), max(formatted_data['xs']), label='Actual Yield', - linestyle='--', color='orange') + linestyle='--', color='red') plt.legend() plt.xscale(xscale) plt.xlabel(xlab) @@ -54,10 +57,11 @@ def plot_data(data_vals, namemod='', xlab=r'Irradiation Time $[s]$', actual_yiel for name, data in formatted_data.items(): if type(data) is list: continue + colors = post.get_colors(len(data.values())) for group, params in data.items(): plt.plot(formatted_data['xs'], params, label=f'Group {group+1}', marker=markers[group % len(markers)], linestyle='--', markersize=5, - linewidth=1) + linewidth=1, color=colors[group]) plt.legend() plt.xlabel(xlab) plt.xscale(xscale) @@ -75,8 +79,9 @@ def plot_data(data_vals, namemod='', xlab=r'Irradiation Time $[s]$', actual_yiel y_arrays = [yields[group] for group in sorted(yields.keys())] labels = [f'Group {group + 1}' for group in sorted(yields.keys())] + colors = post.get_colors(len(y_arrays)) - plt.stackplot(xs, y_arrays, labels=labels) + plt.stackplot(xs, y_arrays, labels=labels, colors=colors) plt.xlabel(xlab) plt.xscale(xscale) @@ -87,25 +92,31 @@ def plot_data(data_vals, namemod='', xlab=r'Irradiation Time $[s]$', actual_yiel plt.savefig(f'stack_yields{namemod}.png') plt.close() -def plot_accumulated_data(accumulated_data): +def plot_accumulated_data(accumulated_data, actual_yield=None): data = list() groups = list() + time_vals = list() for group, data_vals in accumulated_data.items(): formatted_data, total_yields = _cleanup_data(data_vals) times = formatted_data['xs'] + time_vals.append(times) groups.append(group) - data.append(total_yields) + data.append(total_yields) + post = PostProcess(None) colors = post.get_colors(len(data)) markers = post.markers for group in range(len(data)): - plt.plot(times, data[group], label=f"{groups[group]} Groups", + plt.plot(time_vals[group], data[group], label=f"{groups[group]} Groups", marker=markers[group % len(markers)], color=colors[group], linestyle='--', linewidth=0.75, markersize=5) + if actual_yield: + plt.hlines(actual_yield, min(formatted_data['xs']), max(formatted_data['xs']), label='Actual Yield', + linestyle='--', color='red') plt.xlabel(r'Irradiation Time $[s]$') plt.ylabel(r'$\nu_d$') plt.xscale('log') @@ -114,6 +125,22 @@ def plot_accumulated_data(accumulated_data): plt.close() + if actual_yield: + for group in range(len(data)): + diff = 1e5*np.abs(np.asarray(data[group]) - actual_yield) + plt.plot(time_vals[group], diff, label=f"{groups[group]} Groups", + marker=markers[group % len(markers)], + color=colors[group], linestyle='--', + linewidth=0.75, + markersize=5) + plt.xlabel(r'Irradiation Time $[s]$') + #plt.yscale('log') + plt.xscale('log') + plt.ylabel(r'$|\Delta \nu_d |$ $[pcm]$') + plt.legend() + plt.tight_layout() + plt.savefig(f'total_yield_diff_actual.png') + plt.close() data = np.asarray(data).T @@ -125,6 +152,9 @@ def plot_accumulated_data(accumulated_data): color=colors[i], linestyle='--', linewidth=0.75, markersize=5) + if actual_yield: + plt.hlines(actual_yield, min(groups), max(groups), label='Actual Yield', + linestyle='--', color='red') plt.xlabel('Number of Groups') plt.ylabel(r'$\nu_d$') plt.legend() @@ -149,6 +179,8 @@ def plot_accumulated_data(accumulated_data): + + return None @@ -176,9 +208,9 @@ def helper(pathmod): return post_data, all_data if __name__ == '__main__': - actual_yield = None + actual_yield = 0.01609639439 - groups = [4, 5, 6, 7, 8, 9, 10, 11, 12, 13] + groups = [4, 5, 6, 7, 8, 9, 12, 20] accumulated_data = dict() for group in groups: @@ -187,4 +219,4 @@ def helper(pathmod): plot_data(all_data, f'_{group}_all', actual_yield=actual_yield) accumulated_data[group] = post_data - plot_accumulated_data(accumulated_data) \ No newline at end of file + plot_accumulated_data(accumulated_data, actual_yield) \ No newline at end of file From acb84f651a0918fac8a78cb4ce744f408a77187b Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Tue, 24 Mar 2026 13:54:25 -0500 Subject: [PATCH 111/259] Add avg hl plotting --- .../phd_results/t_net_analysis/analysis.py | 102 ++++++++++++++++-- 1 file changed, 93 insertions(+), 9 deletions(-) diff --git a/examples/phd_results/t_net_analysis/analysis.py b/examples/phd_results/t_net_analysis/analysis.py index 140214ab..2cf557e4 100644 --- a/examples/phd_results/t_net_analysis/analysis.py +++ b/examples/phd_results/t_net_analysis/analysis.py @@ -14,36 +14,39 @@ def _cleanup_data(data_vals): formatted_data["xs"] = [] total_yields = [] + avg_halflives = [] for t, params in data_vals.items(): for key, vals in params.items(): if key == 'yields': total_yield = sum(vals) total_yields.append(total_yield) + avg_hl = 1/total_yield * np.sum(np.asarray(params['yields']) * np.asarray(params['hls'])) + avg_halflives.append(avg_hl) for t_net, params in data_vals.items(): formatted_data['xs'].append(t_net) for name, data in params.items(): for group, val in enumerate(data): formatted_data[name][group].append(val) - return formatted_data, total_yields + return formatted_data, total_yields, avg_halflives -def plot_data(data_vals, namemod='', xlab=r'Irradiation Time $[s]$', actual_yield=None): +def plot_data(data_vals, namemod='', xlab=r'Irradiation Time $[s]$', actual_yield=None, actual_hl=None): if data_vals == {}: return None post = PostProcess(None) markers = post.markers - formatted_data, total_yields = _cleanup_data(data_vals) + formatted_data, total_yields, avg_halflives = _cleanup_data(data_vals) xscale = 'log' max_index = total_yields.index(max(total_yields)) min_index = total_yields.index(min(total_yields)) colors = post.get_colors(1) print(f'Max - min yield of {round(1e5*(total_yields[max_index] - total_yields[min_index]), 4)} pcm ({namemod})') - plt.plot(formatted_data['xs'], total_yields, label="Yields", color=colors[0]) + plt.plot(formatted_data['xs'], total_yields, label=r"Group", color=colors[0]) if actual_yield: - plt.hlines(actual_yield, min(formatted_data['xs']), max(formatted_data['xs']), label='Actual Yield', + plt.hlines(actual_yield, min(formatted_data['xs']), max(formatted_data['xs']), label='Actual', linestyle='--', color='red') plt.legend() plt.xscale(xscale) @@ -53,6 +56,18 @@ def plot_data(data_vals, namemod='', xlab=r'Irradiation Time $[s]$', actual_yiel plt.close() + plt.plot(formatted_data['xs'], avg_halflives, label="Group", color=colors[0]) + if actual_hl: + plt.hlines(actual_hl, min(formatted_data['xs']), max(formatted_data['xs']), label=r'Actual', + linestyle='--', color='red') + plt.legend() + plt.xscale(xscale) + plt.xlabel(xlab) + plt.ylabel(r'$\bar{\tau}$') + plt.savefig(f'average_hl{namemod}.png') + plt.close() + + for name, data in formatted_data.items(): if type(data) is list: @@ -92,16 +107,19 @@ def plot_data(data_vals, namemod='', xlab=r'Irradiation Time $[s]$', actual_yiel plt.savefig(f'stack_yields{namemod}.png') plt.close() -def plot_accumulated_data(accumulated_data, actual_yield=None): +def plot_accumulated_data(accumulated_data, actual_yield=None, actual_hl=None): data = list() groups = list() time_vals = list() + hl_data = list() for group, data_vals in accumulated_data.items(): - formatted_data, total_yields = _cleanup_data(data_vals) + formatted_data, total_yields, avg_halflives = _cleanup_data(data_vals) times = formatted_data['xs'] time_vals.append(times) groups.append(group) data.append(total_yields) + hl_data.append(avg_halflives) + post = PostProcess(None) @@ -115,7 +133,7 @@ def plot_accumulated_data(accumulated_data, actual_yield=None): linewidth=0.75, markersize=5) if actual_yield: - plt.hlines(actual_yield, min(formatted_data['xs']), max(formatted_data['xs']), label='Actual Yield', + plt.hlines(actual_yield, min(formatted_data['xs']), max(formatted_data['xs']), label='Actual', linestyle='--', color='red') plt.xlabel(r'Irradiation Time $[s]$') plt.ylabel(r'$\nu_d$') @@ -125,6 +143,23 @@ def plot_accumulated_data(accumulated_data, actual_yield=None): plt.close() + for group in range(len(hl_data)): + plt.plot(time_vals[group], hl_data[group], label=f"{groups[group]} Groups", + marker=markers[group % len(markers)], + color=colors[group], linestyle='--', + linewidth=0.75, + markersize=5) + if actual_hl: + plt.hlines(actual_hl, min(formatted_data['xs']), max(formatted_data['xs']), label='Actual', + linestyle='--', color='red') + plt.xlabel(r'Irradiation Time $[s]$') + plt.ylabel(r'$\bar{\tau}$ $[s]$') + plt.xscale('log') + plt.legend() + plt.savefig(f'multiple_group_hls.png') + plt.close() + + if actual_yield: for group in range(len(data)): diff = 1e5*np.abs(np.asarray(data[group]) - actual_yield) @@ -142,8 +177,26 @@ def plot_accumulated_data(accumulated_data, actual_yield=None): plt.savefig(f'total_yield_diff_actual.png') plt.close() + if actual_hl: + for group in range(len(hl_data)): + diff = np.abs(np.asarray(hl_data[group]) - actual_hl) + plt.plot(time_vals[group], diff, label=f"{groups[group]} Groups", + marker=markers[group % len(markers)], + color=colors[group], linestyle='--', + linewidth=0.75, + markersize=5) + plt.xlabel(r'Irradiation Time $[s]$') + #plt.yscale('log') + plt.xscale('log') + plt.ylabel(r'$|\Delta \bar{\tau} |$ $[s]$') + plt.legend() + plt.tight_layout() + plt.savefig(f'avg_hl_diff_actual.png') + plt.close() + data = np.asarray(data).T + hl_data = np.asarray(hl_data).T colors = post.get_colors(len(data)) for i in range(len(data)): @@ -153,7 +206,7 @@ def plot_accumulated_data(accumulated_data, actual_yield=None): linewidth=0.75, markersize=5) if actual_yield: - plt.hlines(actual_yield, min(groups), max(groups), label='Actual Yield', + plt.hlines(actual_yield, min(groups), max(groups), label='Actual', linestyle='--', color='red') plt.xlabel('Number of Groups') plt.ylabel(r'$\nu_d$') @@ -163,6 +216,23 @@ def plot_accumulated_data(accumulated_data, actual_yield=None): plt.close() + for i in range(len(hl_data)): + plt.plot(groups, hl_data[i], label=f"T = {times[i]}", + marker=markers[i % len(markers)], + color=colors[i], linestyle='--', + linewidth=0.75, + markersize=5) + if actual_hl: + plt.hlines(actual_hl, min(groups), max(groups), label='Actual', + linestyle='--', color='red') + plt.xlabel('Number of Groups') + plt.ylabel(r'$\bar{\tau}$ $[s]$') + plt.legend() + plt.tight_layout() + plt.savefig(f'avg_hl_groups.png') + plt.close() + + diffs = list() for i in range(len(data[0])): diff = max(data[:, i]) - min(data[:, i]) @@ -177,6 +247,20 @@ def plot_accumulated_data(accumulated_data, actual_yield=None): plt.close() + diffs = list() + for i in range(len(hl_data[0])): + diff = max(hl_data[:, i]) - min(hl_data[:, i]) + diffs.append(diff) + + plt.plot(groups, diffs, color='black') + plt.xlabel('Number of Groups') + plt.yscale('log') + plt.ylabel(r'$\Delta \bar{\tau} $ $[s]$') + plt.tight_layout() + plt.savefig(f'avg_hl_diff.png') + plt.close() + + From f37f697698c8172080b216d91431d97bab365aa8 Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Tue, 24 Mar 2026 15:01:05 -0500 Subject: [PATCH 112/259] Add 8 group data --- examples/phd_results/prk/input.json | 22 +++++++++++++++++++--- 1 file changed, 19 insertions(+), 3 deletions(-) diff --git a/examples/phd_results/prk/input.json b/examples/phd_results/prk/input.json index c3dc764f..1db7653f 100644 --- a/examples/phd_results/prk/input.json +++ b/examples/phd_results/prk/input.json @@ -2,7 +2,8 @@ "p_selections": ["pulse (12 Group)", "pulse (6 Group)"], "s_selections": ["saturation (12 Group)", "saturation (6 Group)"], "12_selections": ["saturation (12 Group)", "pulse (12 Group)"], - "selections": ["fast pulse (9 Group)", "fast pulse (6 Group)"], + "fast_selections": ["fast pulse (9 Group)", "fast pulse (6 Group)"], + "selections": ["pulse (8 Group)", "intermediate (8 Group)", "saturation (8 Group)"], "_selections": ["saturation (6 Group)", "pulse (6 Group)"], "o_selections": ["pulse", "intermediate", "intermediate [all]", "saturation", "saturation [all]"], "problem": "step_relative", @@ -12,8 +13,8 @@ "step_relative_insertion": 0.25, "rho_max_dollars": 0.5, "neutrons_per_fission": 2.4, - "gen_time": 2e-7, - "old_gen_time": 2e-5, + "fast_gen_time": 2e-7, + "gen_time": 2e-5, "p0": 1, "rho_amplitude": 750e-5, "rho_relative_amplitude": 0.25, @@ -23,6 +24,21 @@ "yields": [0.00052, 0.00346, 0.00310, 0.00624, 0.00182, 0.00066], "hls": [55.89897, 22.72614, 6.24457, 2.30281, 0.60802, 0.23028] }, + "pulse (8 Group)": { + "description": "Calculated using IAEA and JEFF40 data, post-irrad, (0.0001,0) 0.0001 second irradiation, 100 decay times, 600 decay seconds", + "yields": [0.0004810412398,0.002747985876,0.001102469289,0.002812815944,0.005185550176,0.001834079671,0.001796392814,0.0001360405968], + "hls": [55.67180429,24.24290079,15.3710988,5.066760398,2.177984601,0.8800434482,0.3614118892,0.1414840313] + }, + "intermediate (8 Group)": { + "description": "Calculated using IAEA and JEFF40 data, post-irrad, (0.0001,0) 0.0001 second irradiation, 100 decay times, 600 decay seconds", + "yields": [0.0004798412438,0.002609836129,0.001172955115,0.00228913104,0.00396493595,0.002839532266,0.002116834191,0.0006225115174], + "hls": [55.69446054,24.44150444,16.33155403,5.542215216,2.638502954,1.468718471,0.4947322385,0.2237650564] + }, + "saturation (8 Group)": { + "description": "Calculated using IAEA and JEFF40 data, post-irrad, (0.0001,0) 0.0001 second irradiation, 100 decay times, 600 decay seconds", + "yields": [0.0004796809023,0.002599249108,0.001183678947,0.002381161476,0.004491262022,0.002411658835,0.002098340837,0.0004508185884], + "hls": [55.69771461,24.45926929,16.37416228,5.491068375,2.503326905,1.301201058,0.453571702,0.2032534501] + }, "fast pulse (6 Group)": { "description": "Calculated using IAEA and JEFF40 data, post-irrad, (0.00001,0) 0.00001 second irradiation, 100 decay times, 600 decay seconds", "yields": [0.0005021036685,0.00341460966,0.00229365229,0.006027459811,0.002630153928,0.001228086463], From 4aa3c59d9601bdd1bf9041e249cd10622c7c0312 Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Tue, 24 Mar 2026 15:48:43 -0500 Subject: [PATCH 113/259] (potential breaking change) Fix bug, add metastable to emission prob data --- mosden/utils/csv_handler.py | 12 +++++++++--- 1 file changed, 9 insertions(+), 3 deletions(-) diff --git a/mosden/utils/csv_handler.py b/mosden/utils/csv_handler.py index 5ea19166..12174bd5 100644 --- a/mosden/utils/csv_handler.py +++ b/mosden/utils/csv_handler.py @@ -104,7 +104,8 @@ def _read_iaea_csv(self) -> dict[str, dict[str, float]]: df = pd.read_csv(self.file_path, header=1) for _, row in df.iterrows(): iaea_nuc = row['nucid'] - nuc = self._iaea_to_mosden_nuc(iaea_nuc) + metastable_id = row[' liso'] + nuc = self._iaea_to_mosden_nuc(iaea_nuc, metastable_id) half_life = row[' T1/2 [s] '] half_life_uncertainty = row[' D T1/2 [s]'] if row['D pn1'] < 0: @@ -128,7 +129,7 @@ def _read_iaea_csv(self) -> dict[str, dict[str, float]]: data[nuc]['sigma emission probability'] = emission_prob.s return data - def _iaea_to_mosden_nuc(self, iaea_nuc: str) -> str: + def _iaea_to_mosden_nuc(self, iaea_nuc: str, metastable_id: int) -> str: """ Converts IAEA nuclide format to MoSDeN format. @@ -136,6 +137,8 @@ def _iaea_to_mosden_nuc(self, iaea_nuc: str) -> str: ---------- iaea_nuc : str IAEA nuclide identifier + metastable_id : int + Value indicating metastable index Returns ------- @@ -147,7 +150,10 @@ def _iaea_to_mosden_nuc(self, iaea_nuc: str) -> str: i += 1 mass = iaea_nuc[:i] element = iaea_nuc[i:].capitalize() - return f"{element}{mass}" + m_id = '' + if metastable_id != 0: + m_id = f'_m{metastable_id}' + return f"{element}{mass}{m_id}" def write_csv(self, data: dict[str: dict[str, float]]) -> None: """ From 37cb1414085dca47e23a652c7f0c3361856e8ee3 Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Wed, 25 Mar 2026 13:19:24 -0500 Subject: [PATCH 114/259] Adjust num groups to use parameter length --- mosden/groupfit.py | 10 ++++++---- 1 file changed, 6 insertions(+), 4 deletions(-) diff --git a/mosden/groupfit.py b/mosden/groupfit.py index d28d919f..207a8356 100644 --- a/mosden/groupfit.py +++ b/mosden/groupfit.py @@ -297,8 +297,9 @@ def _intermediate_numerical_fit_function(self, counts : np.ndarray[float|object] Array of counts for each time point (can be float or ufloat) """ - yields = parameters[:self.num_groups] - half_lives = parameters[self.num_groups:] + num_groups = int(len(parameters) / 2) + yields = parameters[:num_groups] + half_lives = parameters[num_groups:] try: np.exp(-np.log(2)/half_lives[0]) exp = np.exp @@ -403,8 +404,9 @@ def _restructure_intermediate_yields(self, parameters: np.ndarray[float|object], if self.irrad_type != 'intermediate': return parameters - scaled_yields = parameters[:self.num_groups] - half_lives = parameters[self.num_groups:] + num_groups = int(len(parameters) / 2) + scaled_yields = parameters[:num_groups] + half_lives = parameters[num_groups:] try: np.exp(-np.log(2)/half_lives[0]) exp = np.exp From 8dc75864af7f28d8d66994c6ae6ab0aa371e860a Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Wed, 25 Mar 2026 14:08:15 -0500 Subject: [PATCH 115/259] Add JENDL5 to data download --- download_data.sh | 69 ++++++++++++++++++++++++++++++++++++++++++++---- 1 file changed, 64 insertions(+), 5 deletions(-) diff --git a/download_data.sh b/download_data.sh index 6910b4f7..ec0ac67f 100644 --- a/download_data.sh +++ b/download_data.sh @@ -30,7 +30,7 @@ download_jeff_data() { if [[ "${JEFF_VERSION}" == "3.1.1" || "${JEFF_VERSION}" == "4.0" ]]; then JEFF_URL="https://www-nds.iaea.org/public/download-endf/JEFF-${JEFF_VERSION}/nfpy/" else - echo "Unsupported JEFF version: ${JEFF_VERSION}" >&2 + echo "Unsupported JEFF version: ${JEFF_VERSION}" return 1 fi @@ -41,6 +41,7 @@ download_jeff_data() { echo "Extracting NFY data..." for f in "$NFY_DIR"/*.zip; do unzip "$f" -d "$NFY_DIR" + done if [[ "${JEFF_VERSION}" == "4.0" ]]; then @@ -51,7 +52,6 @@ download_jeff_data() { wget -4 -q --show-progress -O "${OPENMC_DIR}chain_jeff40_sfr.xml" "https://anl.box.com/shared/static/p6cettxz3ovbp151qg7bc3k9ov0zt3wm.xml" echo "OpenMC chain data collected" fi - done echo "Removing zip files..." rm "$NFY_DIR"/*.zip @@ -87,7 +87,7 @@ download_endf_data() { decay_SEPARATOR="_" XS_URL="https://anl.box.com/shared/static/uhbxlrx7hvxqw27psymfbhi7bx7s6u6a.xz" else - echo "Unsupported ENDF version: ${ENDF_VERSION}" >&2 + echo "Unsupported ENDF version: ${ENDF_VERSION}" return 1 fi @@ -134,8 +134,6 @@ download_endf_data() { local OPENMC_DIR="${ENDF_DIR}/omcchain/" mkdir -p "$OPENMC_DIR" echo "Getting OpenMC chain data for ENDF/B-${ENDF_VERSION}..." - wget -4 -q --show-progress -O "${OPENMC_DIR}chain_casl_pwr.xml" "https://anl.box.com/shared/static/3nvnasacm2b56716oh5hyndxdyauh5gs.xml" - wget -4 -q --show-progress -O "${OPENMC_DIR}chain_casl_sfr.xml" "https://anl.box.com/shared/static/9fqbq87j0tx4m6vfl06pl4ccc0hwamg9.xml" if [[ "${ENDF_VERSION}" == "VII.1" ]]; then wget -4 -q --show-progress -O "${OPENMC_DIR}chain_endfb71_pwr.xml" "https://anl.box.com/shared/static/os1u896bwsbopurpgas72bi6aij2zzdc.xml" wget -4 -q --show-progress -O "${OPENMC_DIR}chain_endfb71_sfr.xml" "https://anl.box.com/shared/static/9058zje1gm0ekd93hja542su50pccvj0.xml" @@ -146,6 +144,62 @@ download_endf_data() { echo "OpenMC chain data collected" } +download_jendl_data() { + local JENDL_VERSION="$1" + JENDL_DIR="${DATA_DIR}/jendl" + mkdir -p "${JENDL_DIR}" + local NFY_DIR="${JENDL_DIR}/fpy/" + local DECAY_DIR="${JENDL_DIR}/decay/" + + + # Fission product yields + local JENDL_URL + local JENDL_FPY_NAME + if [[ "${JENDL_VERSION}" = "5" ]]; then + JENDL_FPY_NAME="jendl5-fpy_upd8.tar.gz" + JENDL_URL="https://wwwndc.jaea.go.jp/ftpnd/ftp/JENDL/${JENDL_FPY_NAME}" + else + echo "Unsupported JENDL version: ${JENDL_VERSION}" + return 1 + fi + + echo "Downloading NFY data for JENDL-${JENDL_VERSION}..." + echo "Accessing ${JENDL_URL}" + wget -4 --show-progress -P "${NFY_DIR}" "${JENDL_URL}" + + echo "Extracting NFY data..." + tar -xvf "${NFY_DIR}/${JENDL_FPY_NAME}" -C "${NFY_DIR}" --strip-components=1 + + # Decay data + local JENDL_URL + local JENDL_DECAY_NAME + if [[ "${JENDL_VERSION}" = "5" ]]; then + JENDL_DECAY_NAME="jendl5-dec_upd5.tar.gz" + JENDL_URL="https://wwwndc.jaea.go.jp/ftpnd/ftp/JENDL/${JENDL_DECAY_NAME}" + else + echo "Unsupported JENDL version: ${JENDL_VERSION}" + return 1 + fi + + echo "Downloading decay data for JENDL-${JENDL_VERSION}..." + echo "Accessing ${JENDL_URL}" + wget -4 --show-progress -P "${DECAY_DIR}" "${JENDL_URL}" + + echo "Extracting decay data..." + tar -xvf "${DECAY_DIR}/${JENDL_DECAY_NAME}" -C "${DECAY_DIR}" --strip-components=1 + + # OpenMC chain data + local OPENMC_DIR="${JENDL_DIR}/omcchain/" + mkdir -p "${OPENMC_DIR}" + echo "Getting OpenMC chain data for JENDL${JENDL_VERSION}..." + if [[ "${JENDL_VERSION}" == "5" ]]; then + wget -4 -q --show-progress -O "${OPENMC_DIR}chain_jendl5_pwr.xml" "https://anl.box.com/shared/static/zgn4gkwxnl3tyh45vrig429yze24sy9d.xml" + wget -4 -q --show-progress -O "${OPENMC_DIR}chain_jendl5_sfr.xml" "https://anl.box.com/shared/static/yw4bsaf86d1vhva42wzurwstlp1ynhe5.xml" + fi + echo "OpenMC chain data collected" + +} + DATA_DIR="mosden/data/unprocessed" rm -rf "$DATA_DIR" mkdir -p "$DATA_DIR" @@ -178,3 +232,8 @@ echo "Saved to $IAEA_FILE" # /IAEA -------------------------------------------------------------------- +# JENDL -------------------------------------------------------------------- +download_jendl_data "5" + + +# /JENDL -------------------------------------------------------------------- \ No newline at end of file From db4618eb3abbbbd1df14ea1ff6c43a57eb37476b Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Wed, 25 Mar 2026 14:11:23 -0500 Subject: [PATCH 116/259] Make jendl save to jendl5 --- download_data.sh | 3 ++- 1 file changed, 2 insertions(+), 1 deletion(-) diff --git a/download_data.sh b/download_data.sh index ec0ac67f..86350292 100644 --- a/download_data.sh +++ b/download_data.sh @@ -146,7 +146,8 @@ download_endf_data() { download_jendl_data() { local JENDL_VERSION="$1" - JENDL_DIR="${DATA_DIR}/jendl" + local JENDL_VERSION_NOP="${JENDL_VERSION//./}" + local JENDL_DIR="${DATA_DIR}/jendl${JENDL_VERSION_NOP}" mkdir -p "${JENDL_DIR}" local NFY_DIR="${JENDL_DIR}/fpy/" local DECAY_DIR="${JENDL_DIR}/decay/" From 667f32079badf5304ab7b721b5fcf6e2991134f4 Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Wed, 25 Mar 2026 14:18:59 -0500 Subject: [PATCH 117/259] JENDL-5 added --- mosden/templates/input_schema.json | 6 +++--- 1 file changed, 3 insertions(+), 3 deletions(-) diff --git a/mosden/templates/input_schema.json b/mosden/templates/input_schema.json index 153bd738..134b4f36 100644 --- a/mosden/templates/input_schema.json +++ b/mosden/templates/input_schema.json @@ -84,7 +84,7 @@ "description": "Path to the half-life unprocessed data", "oneOf": [ { - "enum": ["iaea/eval.csv", "endfb80/decay/", "endfb71/decay/", "iaea/eval_test.csv", "iaea/four_dnp_test.csv"] + "enum": ["iaea/eval.csv", "endfb80/decay/", "endfb71/decay/", "iaea/eval_test.csv", "iaea/four_dnp_test.csv", "jendl5/decay/"] }, { "pattern": "^([A-Za-z0-9]+/)?omcchain/.+\\.xml" @@ -98,12 +98,12 @@ "emission_probability": { "type": "string", "description": "Path to the emission probability data", - "enum": ["iaea/eval.csv", "endfb80/decay/", "endfb71/decay/", "iaea/eval_test.csv", "iaea/four_dnp_test.csv"] + "enum": ["iaea/eval.csv", "endfb80/decay/", "endfb71/decay/", "iaea/eval_test.csv", "iaea/four_dnp_test.csv", "jendl5/decay/"] }, "fission_yield": { "type": "string", "description": "Path to the fission yield data", - "pattern": "^(?:.*/)?(jeff40/nfpy/|endfb80/nfy/|endfb71/nfy/|jeff311/nfpy/|omcchain/chain_test.xml|omcchain/four_dnp_test.xml)$" + "pattern": "^(?:.*/)?(jeff40/nfpy/|jendl5/fpy/|endfb80/nfy/|endfb71/nfy/|jeff311/nfpy/|omcchain/chain_test.xml|omcchain/four_dnp_test.xml)$" }, "decay_time_spacing": { "type": "string", From a25f4beb52cf62983572de56950efdeb26bac01b Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Wed, 25 Mar 2026 15:15:50 -0500 Subject: [PATCH 118/259] Adjust minimum to use mean value instead for improved resolution and rename colorbars --- mosden/postprocessing.py | 6 +++--- 1 file changed, 3 insertions(+), 3 deletions(-) diff --git a/mosden/postprocessing.py b/mosden/postprocessing.py index abba8302..b76189b6 100644 --- a/mosden/postprocessing.py +++ b/mosden/postprocessing.py @@ -358,10 +358,10 @@ def _get_sens_coeffs(self, write=False) -> tuple[list[dict[str, float]], if write: self.logger.info(f'\n{pcc_latex}') self.logger.info('Completed writing nuclides \n') - chart_min_data = np.min((np.min(list(summed_pcc_data.values())), np.min(list(scaled_uncert_pcc.values())))) + chart_min_data = np.min((np.mean(list(summed_pcc_data.values())), np.mean(list(scaled_uncert_pcc.values())))) chart_max_data = np.max((np.max(list(summed_pcc_data.values())), np.max(list(scaled_uncert_pcc.values())))) - self._chart_form(name='PCC', data=summed_pcc_data, cbar_label='Sum of Pearson Correlation Coefficient Magnitudes', vmin=chart_min_data, vmax=chart_max_data) - self._chart_form(name='PCC_uncertainty', data=scaled_uncert_pcc, cbar_label='Sum of Relative Uncertainties Scaled by PCC Magnitudes', vmin=chart_min_data, vmax=chart_max_data) + self._chart_form(name='PCC', data=summed_pcc_data, cbar_label=r'$PCC_i$', vmin=chart_min_data, vmax=chart_max_data) + self._chart_form(name='PCC_uncertainty', data=scaled_uncert_pcc, cbar_label=r'$U_i$', vmin=chart_min_data, vmax=chart_max_data) sorted_summed_pccs = sorted(summed_pcc_data.items(), key=lambda item: item[1], reverse=True) top = 10 self.logger.info(f'Writing {top = } summed |PCC| nuclides') From 7b2bccc45ae4ebfe90a9a9e1f8ca62b0354639f2 Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Wed, 25 Mar 2026 15:17:23 -0500 Subject: [PATCH 119/259] Further simplify axes --- mosden/postprocessing.py | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/mosden/postprocessing.py b/mosden/postprocessing.py index b76189b6..2716babf 100644 --- a/mosden/postprocessing.py +++ b/mosden/postprocessing.py @@ -246,8 +246,8 @@ def _chart_form(self, name: str, data: dict, cbar_label: str, vmin: float=1e-1, plt.set_cmap('viridis') cbar = plt.colorbar() cbar.set_label(cbar_label) - plt.xlabel("Number of neutrons (N)") - plt.ylabel("Number of protons (Z)") + plt.xlabel("Neutrons (N)") + plt.ylabel("Protons (Z)") plt.savefig(f'{self.img_dir}chart_{name}.png') plt.close() return None From 44fc46e64933ab5334914ac6b2ae955eeb67c4fe Mon Sep 17 00:00:00 2001 From: Luke Seifert Date: Thu, 26 Mar 2026 14:56:02 -0500 Subject: [PATCH 120/259] Clean up prelim results with new equilibrium results --- examples/prelim_results/input.json | 20 ++++++++++++-------- examples/prelim_results/results_generator.py | 17 ++++++++--------- 2 files changed, 20 insertions(+), 17 deletions(-) diff --git a/examples/prelim_results/input.json b/examples/prelim_results/input.json index 275bcc94..5836434f 100644 --- a/examples/prelim_results/input.json +++ b/examples/prelim_results/input.json @@ -13,11 +13,11 @@ "log_level": 20 }, "data_options": { - "half_life": "iaea/eval.csv", + "half_life": "endfb80/decay/", "cross_section": "", - "emission_probability": "iaea/eval.csv", + "emission_probability": "endfb80/decay/", "fission_yield": "jeff311/nfpy/", - "decay_time_spacing": "linear", + "decay_time_spacing": "log", "temperature_K": 920, "density_g_cm3": 2.3275, "energy_MeV": 0.0253e-6, @@ -30,21 +30,25 @@ "concentration_handling": "CFY", "count_rate_handling": "data", "reprocessing_locations": ["excore"], + "base_removal_scaling": 0.5, "reprocessing": { "Xe": 0.0 }, "irrad_type": "saturation", - "incore_s": 10, + "incore_s": 4200, "excore_s": 0, - "spatial_scaling": "unscaled", - "net_irrad_s": 420, + "spatial_scaling": { + "flux": false, + "reprocessing": false + }, + "net_irrad_s": 4200, "decay_time": 600, - "num_decay_times": 300 + "num_decay_times": 800 }, "group_options": { "num_groups": 6, "method": "nlls", - "samples": 1000, + "samples": 5000, "sample_func": "normal" } } diff --git a/examples/prelim_results/results_generator.py b/examples/prelim_results/results_generator.py index cbe45906..31ec8128 100644 --- a/examples/prelim_results/results_generator.py +++ b/examples/prelim_results/results_generator.py @@ -28,7 +28,7 @@ chemical_long_analysis = { 'meta': { 'name': name, - 'run_full': False, + 'run_full': True, 'run_post': False, 'overwrite': True }, @@ -44,7 +44,7 @@ chemical_bool_analysis = { 'meta': { 'name': name, - 'run_full': False, + 'run_full': True, 'run_post': False, 'overwrite': True }, @@ -60,7 +60,7 @@ spacing_times_analysis = { 'meta': { 'name': name, - 'run_full': False, + 'run_full': True, 'run_post': False, 'overwrite': True }, @@ -73,7 +73,7 @@ decay_times_analysis = { 'meta': { 'name': name, - 'run_full': False, + 'run_full': True, 'run_post': False, 'overwrite': True }, @@ -86,7 +86,7 @@ total_decay_analysis = { 'meta': { 'name': name, - 'run_full': False, + 'run_full': True, 'run_post': False, 'overwrite': True }, @@ -99,8 +99,8 @@ detailed_decay_analysis = { 'meta': { 'name': name, - 'run_full': False, - 'run_post': True, + 'run_full': True, + 'run_post': False, 'overwrite': True }, 'decay_time': [1200, 2400], @@ -253,8 +253,7 @@ def run_mosden(analysis: dict, input_paths: list[str]) -> None: if __name__ == '__main__': for analysis in analysis_list: - dir_name = f'./{analysis["meta"]["name"]}' + dir_name = f'./{analysis["meta"]["name"]}/' if analysis['meta']['run_full'] or analysis['meta']['run_post']: input_paths = populate_inputs(analysis, dir_name) run_mosden(analysis, input_paths) - pass \ No newline at end of file From c84154e89ef433ef5317e99497c685ce15fc0b2e Mon Sep 17 00:00:00 2001 From: Luke Seifert Date: Thu, 26 Mar 2026 14:59:22 -0500 Subject: [PATCH 121/259] Update multipost naming --- mosden/multipostprocessing.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/mosden/multipostprocessing.py b/mosden/multipostprocessing.py index 34e32944..ef8a7263 100644 --- a/mosden/multipostprocessing.py +++ b/mosden/multipostprocessing.py @@ -82,7 +82,7 @@ def _set_post_names(self): post.name = rf'$T_d$ = {post.total_decay_time}s' elif self._is_name('detailed_decay'): for post in self.posts: - post.name = rf'$T_d$ = {post.total_decay_time}s with {post.num_decay_times} nodes' + post.name = rf'$T_d$ = {post.decay_time}s with {post.num_decay_times} nodes' elif self._is_name('irrad_time'): for post in self.posts: post.name = f'T = {post.net_irrad_s}' From e797642c6ae980e401355d3c0edb41a025f68f78 Mon Sep 17 00:00:00 2001 From: Luke Seifert Date: Thu, 26 Mar 2026 20:12:23 -0500 Subject: [PATCH 122/259] Renamed num_times --- mosden/multipostprocessing.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/mosden/multipostprocessing.py b/mosden/multipostprocessing.py index ef8a7263..83dae7d1 100644 --- a/mosden/multipostprocessing.py +++ b/mosden/multipostprocessing.py @@ -82,7 +82,7 @@ def _set_post_names(self): post.name = rf'$T_d$ = {post.total_decay_time}s' elif self._is_name('detailed_decay'): for post in self.posts: - post.name = rf'$T_d$ = {post.decay_time}s with {post.num_decay_times} nodes' + post.name = rf'$T_d$ = {post.decay_time}s with {post.num_times} nodes' elif self._is_name('irrad_time'): for post in self.posts: post.name = f'T = {post.net_irrad_s}' From a107bb22893489dbcb8f214a0297bb5a0ecd621b Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Fri, 27 Mar 2026 10:14:00 -0500 Subject: [PATCH 123/259] Add jendl processing --- mosden/base.py | 4 ++- mosden/preprocessing.py | 56 +++++++++++++++++++++++++++++++++++++++-- 2 files changed, 57 insertions(+), 3 deletions(-) diff --git a/mosden/base.py b/mosden/base.py index 37e0be5a..dbefe635 100644 --- a/mosden/base.py +++ b/mosden/base.py @@ -21,9 +21,11 @@ def __init__(self, input_path: str) -> None: Path to the input file """ self.omc_data_words: list[str] = ['omcchain'] - self.endf_data_words: list[str] = ['nfy', 'decay'] + self.endf_data_words: list[str] = ['endfb71', 'endfb80'] self.iaea_data_words: list[str] = ['iaea'] self.jeff_data_words: list[str] = ['jeff'] + self.jendl_data_words: list[str] = ['jendl5'] + self.input_path: str = input_path self.input_handler: InputHandler = InputHandler(input_path) diff --git a/mosden/preprocessing.py b/mosden/preprocessing.py index 46e749e3..186e4551 100644 --- a/mosden/preprocessing.py +++ b/mosden/preprocessing.py @@ -40,13 +40,15 @@ def run(self) -> None: self.omc_data_words, self.endf_data_words, self.iaea_data_words, - self.jeff_data_words + self.jeff_data_words, + self.jendl_data_words ] func_list: list = [ self.openmc_preprocess, self.endf_preprocess, self.iaea_preprocess, - self.jeff_preprocess + self.jeff_preprocess, + self.jendl_preprocess ] func_selector: list[zip] = list(zip(datasource_list, @@ -141,6 +143,25 @@ def endf_preprocess(self, data_val: str, unprocessed_path: str) -> None: else: self.logger.error(f'{data_val} not available in ENDF') return None + + def jendl_preprocess(self, data_val: str, unprocessed_path: str) -> None: + """ + Processes JENDL data + + Parameters + ---------- + data_val : str + Type of data to process + unprocessed_path : str + Path to the unprocessed data + """ + if data_val == 'fission_yield': + self._jendl_nfy_preprocess(data_val, unprocessed_path) + elif data_val == 'half_life' or data_val == 'emission_probability': + self._endf_decay_preprocess(data_val, unprocessed_path) + else: + self.logger.error(f'{data_val} not available in ENDF') + return None def jeff_preprocess(self, data_val: str, unprocessed_path: str) -> None: """ @@ -243,6 +264,37 @@ def _jeff_nfy_preprocess(self, data_val: str, path: str) -> None: csv_path: str = os.path.join(out_path) CSVHandler(csv_path, self.preprocess_overwrite).write_csv(treated_data) return None + + + def _jendl_nfy_preprocess(self, data_val: str, path: str) -> None: + """ + Processes JENDL fission yield data for the specified fissile target. + + Parameters + ---------- + data_val : str + Type of data to process + path : str + Path to the unprocessed data + """ + data_dir: str = os.path.join(self.data_dir, path) + out_path: str = os.path.join(self.processed_data_dir, f'{data_val}.csv') + pre_treated_data: dict[str: dict[str: dict[str: float]]] = dict() + for fissile in self.fissile_targets: + for file in os.listdir(data_dir): + fissile_endf: str = self._endf_fissile_name(fissile) + fissile_jendl = fissile_endf.replace('_', '-') + if not fissile_jendl in file: + continue + full_path: str = os.path.join(data_dir, file) + file_data: dict[str: dict[str: float] + ] = self._process_jeff_nfy_file(full_path) + pre_treated_data[fissile] = file_data + treated_data: dict[str: dict[str: float] + ] = self._treat_endf_data(pre_treated_data) + csv_path: str = os.path.join(out_path) + CSVHandler(csv_path, self.preprocess_overwrite).write_csv(treated_data) + return None def _endf_nfy_preprocess(self, data_val: str, path: str) -> None: """ From e6cd1c3622a33d40edc9f9b42e27731c121eb3f6 Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Fri, 27 Mar 2026 10:21:02 -0500 Subject: [PATCH 124/259] Add jeff311 to input schema --- mosden/templates/input_schema.json | 6 +++--- 1 file changed, 3 insertions(+), 3 deletions(-) diff --git a/mosden/templates/input_schema.json b/mosden/templates/input_schema.json index 134b4f36..63f78a08 100644 --- a/mosden/templates/input_schema.json +++ b/mosden/templates/input_schema.json @@ -84,7 +84,7 @@ "description": "Path to the half-life unprocessed data", "oneOf": [ { - "enum": ["iaea/eval.csv", "endfb80/decay/", "endfb71/decay/", "iaea/eval_test.csv", "iaea/four_dnp_test.csv", "jendl5/decay/"] + "enum": ["iaea/eval.csv", "endfb80/decay/", "endfb71/decay/", "iaea/eval_test.csv", "iaea/four_dnp_test.csv", "jendl5/decay/", "jeff311/decay/"] }, { "pattern": "^([A-Za-z0-9]+/)?omcchain/.+\\.xml" @@ -98,7 +98,7 @@ "emission_probability": { "type": "string", "description": "Path to the emission probability data", - "enum": ["iaea/eval.csv", "endfb80/decay/", "endfb71/decay/", "iaea/eval_test.csv", "iaea/four_dnp_test.csv", "jendl5/decay/"] + "enum": ["iaea/eval.csv", "endfb80/decay/", "endfb71/decay/", "iaea/eval_test.csv", "iaea/four_dnp_test.csv", "jendl5/decay/", "jeff311/decay/"] }, "fission_yield": { "type": "string", @@ -414,4 +414,4 @@ } } } -} \ No newline at end of file +} From b88c149c086a63b5f7d618e450bb3cfcb34e5f49 Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Fri, 27 Mar 2026 10:22:21 -0500 Subject: [PATCH 125/259] Make names more generic --- mosden/base.py | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/mosden/base.py b/mosden/base.py index dbefe635..cc695e65 100644 --- a/mosden/base.py +++ b/mosden/base.py @@ -21,10 +21,10 @@ def __init__(self, input_path: str) -> None: Path to the input file """ self.omc_data_words: list[str] = ['omcchain'] - self.endf_data_words: list[str] = ['endfb71', 'endfb80'] + self.endf_data_words: list[str] = ['endf'] self.iaea_data_words: list[str] = ['iaea'] self.jeff_data_words: list[str] = ['jeff'] - self.jendl_data_words: list[str] = ['jendl5'] + self.jendl_data_words: list[str] = ['jendl'] self.input_path: str = input_path From 68e0ea9ccdb10670b41adb3d6ae75e8705d56698 Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Fri, 27 Mar 2026 11:13:50 -0500 Subject: [PATCH 126/259] Download JEFF decay data --- download_data.sh | 37 ++++++++++++++++++++++++++++++++++++- 1 file changed, 36 insertions(+), 1 deletion(-) diff --git a/download_data.sh b/download_data.sh index 86350292..b1def16e 100644 --- a/download_data.sh +++ b/download_data.sh @@ -23,6 +23,7 @@ download_jeff_data() { local JEFF_VERSION_NOP="${JEFF_VERSION//./}" local JEFF_DIR="${DATA_DIR}/jeff${JEFF_VERSION_NOP}" local NFY_DIR="${JEFF_DIR}/nfpy/" + local DECAY_DIR="${JEFF_DIR}/decay/" mkdir -p "$NFY_DIR" echo "Saving data to ${NFY_DIR}" @@ -44,6 +45,39 @@ download_jeff_data() { done + # Decay data (formatted as many small zipped files) + local JEFF_URL="https://www-nds.iaea.org/public/download-endf/JEFF-${JEFF_VERSION}/decay/" + + echo "Downloading decay data for JEFF-${JEFF_VERSION}..." + echo "Accessing ${JEFF_URL}" + JEFF_URL="https://www-nds.iaea.org/public/download-endf/JEFF-3.1.1/decay/" + + if command -v aria2c &>/dev/null; then + echo "aria2c in use" + + wget -q -O - "$JEFF_URL" \ + | grep -oP 'href="\K[^"]+\.zip' \ + | sed "s|^|$JEFF_URL|" \ + > /tmp/jeff_urls.txt + + aria2c \ + --input-file=/tmp/jeff_urls.txt \ + --dir="${DECAY_DIR}" \ + --max-concurrent-downloads=16 \ + --split=1 \ + --auto-file-renaming=false + + rm /tmp/jeff_urls.txt + else + echo "aria2c not available (highly suggested), using wget" + wget -4 --show-progress --recursive --no-parent --accept "*.zip" --no-host-directories --cut-dirs=3 -P "${JEFF_DIR}" "$JEFF_URL" + fi + + echo "Extracting decay data..." + for f in "$DECAY_DIR"/*.zip; do + unzip "$f" -d "$DECAY_DIR" + done + if [[ "${JEFF_VERSION}" == "4.0" ]]; then OPENMC_DIR="${JEFF_DIR}/omcchain/" mkdir -p "$OPENMC_DIR" @@ -54,8 +88,9 @@ download_jeff_data() { fi echo "Removing zip files..." + rm "$DECAY_DIR"/*.zip rm "$NFY_DIR"/*.zip - echo "NFY data handled" + echo "JEFF-${JEFF_VERSION} data handled" } download_endf_data() { From 5deccc3a87b5fdb8113eef7de6bc26662cd3bb22 Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Fri, 27 Mar 2026 11:26:11 -0500 Subject: [PATCH 127/259] add jeff decay availability --- mosden/preprocessing.py | 2 ++ 1 file changed, 2 insertions(+) diff --git a/mosden/preprocessing.py b/mosden/preprocessing.py index 186e4551..45d6904c 100644 --- a/mosden/preprocessing.py +++ b/mosden/preprocessing.py @@ -176,6 +176,8 @@ def jeff_preprocess(self, data_val: str, unprocessed_path: str) -> None: """ if data_val == 'fission_yield': self._jeff_nfy_preprocess(data_val, unprocessed_path) + elif data_val == 'half_life' or data_val == 'emission_probability': + self._endf_decay_preprocess(data_val, unprocessed_path) else: self.logger.error(f'{data_val} not available in JEFF') return None From 4b717f3245ee112f4bf41e7d9e8f19e0e31e562f Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Fri, 27 Mar 2026 11:45:50 -0500 Subject: [PATCH 128/259] Clean up preprocessing to be more general --- mosden/preprocessing.py | 4 +++- 1 file changed, 3 insertions(+), 1 deletion(-) diff --git a/mosden/preprocessing.py b/mosden/preprocessing.py index 45d6904c..9f3dd351 100644 --- a/mosden/preprocessing.py +++ b/mosden/preprocessing.py @@ -511,10 +511,12 @@ def _process_endf_decay_file(self, dir: str) -> dict[str, dict[str: float]]: """ import openmc.data data = dict() + valid_endings = ('.dat', '.endf') for file in os.listdir(dir): Pn = ufloat(0, 1e-12) half_life = ufloat(0, 1e-12) - if not file.startswith(f'dec-'): + is_valid = (file.startswith('dec') and file.endswith(valid_endings)) + if not is_valid: continue decay = openmc.data.Decay.from_endf(dir+file) half_life = decay.half_life From fd0dd3f77f4f48be7a5c98b8a3ea1b5c79fa9b75 Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Fri, 27 Mar 2026 11:47:30 -0500 Subject: [PATCH 129/259] Add 2026 data paper results generator script --- .gitignore | 6 + examples/2026_data_paper/input.json | 61 ++++++ examples/2026_data_paper/results_generator.py | 175 ++++++++++++++++++ 3 files changed, 242 insertions(+) create mode 100644 examples/2026_data_paper/input.json create mode 100644 examples/2026_data_paper/results_generator.py diff --git a/.gitignore b/.gitignore index ec4d0f83..b906a747 100644 --- a/.gitignore +++ b/.gitignore @@ -172,6 +172,12 @@ cython_debug/ !/examples/**/input.json !/examples/**/*.py + +/examples/2026_data_paper/* +!/examples/2026_data_paper/input.json +!/examples/2026_data_paper/results_generator.py + + /examples/phd_results/* !/examples/phd_results/input.json !/examples/phd_results/results_generator.py diff --git a/examples/2026_data_paper/input.json b/examples/2026_data_paper/input.json new file mode 100644 index 00000000..4d3514df --- /dev/null +++ b/examples/2026_data_paper/input.json @@ -0,0 +1,61 @@ +{ + "name": "Data Investigation", + "multi_id": null, + "file_options": { + "overwrite": { + "preprocessing": true, + "concentrations": true, + "count_rate": true, + "group_fitting": true, + "postprocessing": true, + "logger": true + }, + "log_level": 20 + }, + "data_options": { + "half_life": "endfb71/decay/", + "cross_section": "", + "emission_probability": "endfb71/decay/", + "fission_yield": "endfb71/nfy/", + "decay_time_spacing": "log", + "temperature_K": 920, + "density_g_cm3": 2.3275, + "energy_MeV": 0.0253e-6, + "fissile_fractions": { + "U235": 1.0 + } + }, + "modeling_options": { + "concentration_handling": "CFY", + "count_rate_handling": "data", + "reprocessing_locations": [], + "reprocessing": { + "Xe": 0.0 + }, + "irrad_type": "saturation", + "spatial_scaling": { + "flux": false, + "reprocessing": false + }, + "base_removal_scaling": 0.5, + "incore_s": 4200, + "excore_s": 0, + "net_irrad_s": 4200, + "decay_time": 600, + "num_decay_times": 800, + "openmc_settings": { + "nps": 5000, + "batches": 10, + "source": 1e3, + "run_omc": true, + "write_fission_json": true, + "write_nuyield_json": true + } + }, + "group_options": { + "num_groups": 6, + "method": "nlls", + "samples": 1, + "sample_func": "normal" + } +} diff --git a/examples/2026_data_paper/results_generator.py b/examples/2026_data_paper/results_generator.py new file mode 100644 index 00000000..0ff8be6b --- /dev/null +++ b/examples/2026_data_paper/results_generator.py @@ -0,0 +1,175 @@ +import os +from pathlib import Path +import json +import itertools +import shutil +from copy import deepcopy +import subprocess + +base_input_file = './input.json' +analysis_list = list() + +name = 'data' +residence_time_analysis = { + 'meta': { + 'name': name, + 'run_full': True, + 'run_post': True, + 'overwrite': True, + }, + 'half_life': ['endfb71/decay/', 'endfb80/decay/', 'jeff311/decay/', 'jendl5/decay/', 'iaea/eval.csv'], + 'emission_probability': ['endfb71/decay/', 'endfb80/decay/', 'jeff311/decay/', 'jendl5/decay/', 'iaea/eval.csv'], + 'fission_yield': ['endfb71/nfy/', 'endfb80/nfy/', 'jeff311/nfpy/', 'jendl5/fpy/'], + 'multi_id': [name] +} +analysis_list.append(residence_time_analysis) + + +def replace_value(input_data: dict, key: str, new_val: str|float|int) -> bool: + """ + Recursively search through dict d to find key and replace its value. + Returns True if replacement was made, False otherwise. + + Parameters + ---------- + input_data : dict + The dictionary of input data + key : str + The key to search for + new_val : str|float|int + The new value to assign to the key + + """ + if key in input_data.keys(): + input_data[key] = new_val + return True + + for val in input_data.values(): + if isinstance(val, dict): + if replace_value(val, key, new_val): + return True + return False + +def create_directory(dir_name: str) -> None: + """ + Create directory if it does not exist. If it does exist and overwrite is + True, delete and recreate. + + Parameters + ---------- + dir_name : str + The name of the directory to create + + """ + if os.path.isdir(dir_name) and analysis['meta']['overwrite']: + shutil.rmtree(dir_name) + os.makedirs(dir_name, exist_ok=analysis['meta']['overwrite']) + return None + +def set_data(new_data: dict, dir_path: str, idx: int, combination: tuple) -> tuple[dict, str]: + """ + Set the data for the new input file. + + Parameters + ---------- + new_data : dict + The new data to write to the input file + dir_path : str + The directory path where the input file will be created + idx : int + The index of the current input file + combination : tuple + The combination of parameters for this input file + + Returns + ------- + tuple[dict, str] + The updated data and the path to the input file + """ + filename = 'input.json' + file_dir = dir_path / str(idx) + file_path = file_dir / filename + new_data['file_options']['processed_data_dir'] = str(file_dir) + new_data['file_options']['output_dir'] = str(file_dir) + '/' + new_data['file_options']['log_file'] = str(file_dir) + '/log.log' + new_data['modeling_options']['openmc_settings']['omc_dir'] = str(file_dir) + '/omc' + new_data['name'] = str(combination) + if analysis['meta']['run_full']: + create_directory(file_dir) + + with open(file_path, "w") as f: + json.dump(new_data, f, indent=2) + + return new_data, file_path + +def populate_inputs(analysis: dict, dir_path: str) -> list[str]: + """ + Populate the input files for each case in the analysis dict. + + Parameters + ---------- + analysis : dict + The analysis dictionary containing the parameters for each case + dir_path : str + The directory path where the input files will be created + + Returns + ------- + list[str] + A list of paths to the created input files + + Raises + ------ + KeyError + If a key in the analysis dict is not found in the input file + """ + paths = [] + dir_path = Path(dir_path) + + with open("input.json", "r") as f: + base_data = json.load(f) + + component_keys = [k for k in analysis.keys() if k != "meta"] + value_combinations = itertools.product(*(analysis[k] for k in component_keys)) + for idx, combination in enumerate(value_combinations, start=1): + + new_data = deepcopy(base_data) + + for key, val in zip(component_keys, combination): + replaced = replace_value(new_data, key, val) + if not replaced: + raise KeyError(f'{key} not found in input file') + + new_data, file_path = set_data(new_data, dir_path, idx, combination) + + paths.append(str(file_path)) + return paths + +def run_mosden(analysis: dict, input_paths: list[str]) -> None: + """ + Run mosden for the given analysis and input paths. + + Parameters + ---------- + analysis : dict + The analysis dictionary containing the parameters for the run + input_paths : list[str] + The list of input file paths to process + + """ + if analysis['meta']['run_full']: + command = ['mosden', '-a'] + input_paths + elif analysis['meta']['run_post']: + command = ['mosden', '-post'] + input_paths + else: + return None + subprocess.run(command) + return None + +if __name__ == '__main__': + for analysis in analysis_list: + dir_name = f'{os.getcwd()}/{analysis["meta"]["name"]}' + if analysis['meta']['run_full'] or analysis['meta']['run_post']: + input_paths = populate_inputs(analysis, dir_name) + run_mosden(analysis, input_paths) + pass \ No newline at end of file From b5dcd12464f2051f8e46e127948756cc9c0e5ef8 Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Fri, 27 Mar 2026 13:00:41 -0500 Subject: [PATCH 130/259] Add data table generation --- mosden/multipostprocessing.py | 39 +++++++++++++++++++++++++++++++++++ 1 file changed, 39 insertions(+) diff --git a/mosden/multipostprocessing.py b/mosden/multipostprocessing.py index 83dae7d1..d12a4ec8 100644 --- a/mosden/multipostprocessing.py +++ b/mosden/multipostprocessing.py @@ -89,6 +89,8 @@ def _set_post_names(self): elif self._is_name('omc_timestep'): for post in self.posts: post.name = rf'$\Delta t$ = {post.openmc_settings["max_timestep"]}' + elif self._is_name('data'): + self.data_table_gen() return None def _post_heatmap_setup(self) -> None: @@ -123,6 +125,43 @@ def _initialize_posts(self) -> None: self.do_heatmap = False return None + def data_table_gen(self) -> None: + """ + Write a csv table for the various data parameters and the results + """ + csv_data = list() + rename = { + 'endfb71/decay/': 'ENDF/B-VII.1', + 'endfb80/decay/': 'ENDF/B-VIII.0', + 'jeff311/decay/': 'JEFF-3.1.1', + 'jendl5/decay/': 'JENDL-5', + 'iaea/eval.csv': 'IAEA', + 'endfb71/nfy/': 'ENDF/B-VII.1', + 'endfb80/nfy/': 'ENDF/B-VIII.0', + 'jeff311/nfpy/': 'JEFF-3.1.1', + 'jendl5/fpy/': 'JENDL-5' + } + for post in self.posts: + cfy = post.input_data['data_options']['fission_yield'] + pn = post.input_data['data_options']['emission_probability'] + hl = post.input_data['data_options']['half_life'] + row_data = { + r'$CFY$': rename[cfy], + r'$P_n$': rename[pn], + r'$\tau$': rename[hl], + r'$\nu_d (I)$': post.summed_yield.n, + r'$\Delta \nu_d (I)$': post.summed_yield.s, + r'$\bar{\tau} (I)$ $[s]$': post.summed_avg_halflife.n, + r'$\Delta \bar{\tau} (I)$ $[s]$': post.summed_avg_halflife.s, + r'$\nu_d (K)$': post.group_yield.n, + r'$\Delta \nu_d (K)$': post.group_yield.s, + r'$\bar{\tau} (K)$ $[s]$': post.group_avg_halflife.n, + r'$\Delta \bar{\tau} (K)$ $[s]$': post.group_avg_halflife.s + } + csv_data.append(row_data) + pd.DataFrame(csv_data).to_csv(f'{self.output_dir}data.csv', index=False) + return None + def run(self): """ Run the multi-post processing analysis and generate figures. From a471ddbafa22137d3ac2a15fe8fe896f435af975 Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Fri, 27 Mar 2026 13:21:50 -0500 Subject: [PATCH 131/259] Update samples and post options --- examples/2026_data_paper/input.json | 10 +++++++++- 1 file changed, 9 insertions(+), 1 deletion(-) diff --git a/examples/2026_data_paper/input.json b/examples/2026_data_paper/input.json index 4d3514df..40d9189e 100644 --- a/examples/2026_data_paper/input.json +++ b/examples/2026_data_paper/input.json @@ -55,7 +55,15 @@ "group_options": { "num_groups": 6, "method": "nlls", - "samples": 1, + "samples": 5000, "sample_func": "normal" + }, + "post_options": { + "top_num_nuclides": { + "yield_top": 5, + "conc_top": 5, + "conc_over_time_top": 5 + } } + } From 830921a8ff1d994f7271d1430617565614e2282b Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Fri, 27 Mar 2026 13:52:41 -0500 Subject: [PATCH 132/259] Add less frequent data plotting --- mosden/postprocessing.py | 8 ++++++-- 1 file changed, 6 insertions(+), 2 deletions(-) diff --git a/mosden/postprocessing.py b/mosden/postprocessing.py index 2716babf..9a4fd2db 100644 --- a/mosden/postprocessing.py +++ b/mosden/postprocessing.py @@ -1054,6 +1054,7 @@ def _plot_counts(self) -> None: countrate = CountRate(self.input_path) irrad_index = self.get_irrad_index(False) + 1 times = countrate.use_times + tenth = int(len(times)/10) alpha_MC: float = 1 / np.sqrt(self.MC_samples) for MC_iterm, count_val in enumerate(counts): label = mc_label if MC_iterm == 0 else None @@ -1073,7 +1074,8 @@ def _plot_counts(self) -> None: marker='x', label='Mean, This Work', markersize=5, - markevery=5) + markevery=tenth, + errorevery=tenth) countrate.count_method = 'groupfit' if self.self_relative_data: base_name = mc_label @@ -1139,6 +1141,7 @@ def _plot_counts(self) -> None: plt.xlabel('Time [s]') plt.ylabel(r'Count Rate $[n \cdot s^{-1}]$') plt.yscale('log') + plt.xscale('log') leg = plt.legend() for line in leg.legend_handles: if line.get_label() == mc_label: @@ -1175,7 +1178,8 @@ def _plot_counts(self) -> None: marker='x', label='Mean, This Work', markersize=5, - markevery=5) + markevery=tenth, + errorevery=tenth) counts_group = unumpy.uarray(group_counts['counts'], group_counts['sigma counts']) From 41daf183b0ed3bff1e19997925b34ba635a3d7fc Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Fri, 27 Mar 2026 14:05:39 -0500 Subject: [PATCH 133/259] Fix debug concs for CFY --- mosden/concentrations.py | 19 +++++++++++++++++-- 1 file changed, 17 insertions(+), 2 deletions(-) diff --git a/mosden/concentrations.py b/mosden/concentrations.py index ecf6b578..491e7c66 100644 --- a/mosden/concentrations.py +++ b/mosden/concentrations.py @@ -137,6 +137,12 @@ def _evaluate_conc(self, cur_conc: float, cur_p_conc: float, lam_p: float, lam: exp_p = np.exp(-lam_p * dt[ti]) exp_c = np.exp(-lam * dt[ti]) + if self.conc_method == 'CFY': + cfy = y_p + y + cur_conc = cfy / lam + cur_p_conc = y_p / lam + return cur_conc, cur_p_conc + if lam_p > 0: cur_p_conc = p_concs[ti] * exp_p + (fission_rates[ti] * y_p / lam_p) * (1 - exp_p) else: @@ -183,8 +189,6 @@ def _add_debug_dnp_data(self, data: list[dict[str, float]]) -> list[dict[str, fl fission_rates, _ = self._calculate_fission_term(False) len_diff = len(times) - len(fission_rates) fission_rates = np.append(fission_rates, [0]*len_diff) - concs = [0] - p_concs = [0] lam = np.log(2) / nuc_vals['half_life_s'] y = nuc_vals['yield'] dt = np.diff(times) @@ -196,6 +200,17 @@ def _add_debug_dnp_data(self, data: list[dict[str, float]]) -> list[dict[str, fl except NameError: y_p = 0 lam_p = 1 + except KeyError: + y_p = 0 + lam_p = 1 + initial_conc = 0 + initial_p_conc = 0 + + if self.conc_method == 'CFY': + initial_conc = (y+y_p) / lam + initial_p_conc = y_p / lam_p + concs = [initial_conc] + p_concs = [initial_p_conc] for ti, t in enumerate(times[:-1]): cur_conc, cur_p_conc = self._evaluate_conc(cur_conc, cur_p_conc, lam_p, lam, ti, dt, fission_rates, concs, p_concs, y_p, y) p_concs.append(cur_p_conc) From 7c8896f0ab5ce60179cb4531e1c1dd6aaa15387b Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Fri, 27 Mar 2026 14:49:42 -0500 Subject: [PATCH 134/259] Make mean marker plotting an optional user setting --- mosden/base.py | 1 + mosden/postprocessing.py | 23 ++++++++++++----------- mosden/templates/input_schema.json | 4 ++++ 3 files changed, 17 insertions(+), 11 deletions(-) diff --git a/mosden/base.py b/mosden/base.py index cc695e65..c6231764 100644 --- a/mosden/base.py +++ b/mosden/base.py @@ -152,6 +152,7 @@ def __init__(self, input_path: str) -> None: self.num_over_time = self.num_top.get('conc_over_time_top', 3) self.nuc_colors = post_options.get('nuc_colors', {}) self.num_stack = post_options.get('num_stacked_nuclides', 2) + self.plot_means = post_options.get('plot_means', False) self.post_irrad_only: bool = (len(self.residual_masks) == 1 and 'post-irrad' in self.residual_masks) self.no_post_irrad: bool = ('post-irrad' not in self.residual_masks and 'all' not in self.residual_masks) diff --git a/mosden/postprocessing.py b/mosden/postprocessing.py index 9a4fd2db..d8257d59 100644 --- a/mosden/postprocessing.py +++ b/mosden/postprocessing.py @@ -1169,17 +1169,18 @@ def _plot_counts(self) -> None: if len(counts_this_work) > len(times): counts_this_work = counts_this_work[irrad_index:] this_over_base = counts_this_work / counts_base - plt.errorbar( - times, - unumpy.nominal_values(this_over_base), - unumpy.std_devs(this_over_base), - color=mean_color, - linestyle='', - marker='x', - label='Mean, This Work', - markersize=5, - markevery=tenth, - errorevery=tenth) + if self.plot_means: + plt.errorbar( + times, + unumpy.nominal_values(this_over_base), + unumpy.std_devs(this_over_base), + color=mean_color, + linestyle='', + marker='x', + label='Mean, This Work', + markersize=5, + markevery=tenth, + errorevery=tenth) counts_group = unumpy.uarray(group_counts['counts'], group_counts['sigma counts']) diff --git a/mosden/templates/input_schema.json b/mosden/templates/input_schema.json index 63f78a08..3aa07504 100644 --- a/mosden/templates/input_schema.json +++ b/mosden/templates/input_schema.json @@ -397,6 +397,10 @@ "type": "integer", "description": "Plots the top X nuclides at each time step, where X is this value" }, + "plot_means": { + "type": "boolean", + "description": "Whether to plot the nominal values in count rate figures" + }, "lit_data": { "type": "array", "description": "Data from the literature to compare against. Must be present in the data directory", From e640c423c157bd9b9fa99e5b7bde0fb0b5529d93 Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Fri, 27 Mar 2026 14:53:20 -0500 Subject: [PATCH 135/259] Comment out default nuc color --- mosden/utils/defaults.py | 3 ++- 1 file changed, 2 insertions(+), 1 deletion(-) diff --git a/mosden/utils/defaults.py b/mosden/utils/defaults.py index ab0a89bd..ff123193 100644 --- a/mosden/utils/defaults.py +++ b/mosden/utils/defaults.py @@ -94,10 +94,11 @@ 'conc_top': 15, 'conc_over_time_top': 5 }, + "plot_means": False, "num_stacked_nuclides": 2, "lit_data": ['keepin', 'brady', 'synetos'], "nuc_colors": { - 'Br87': '#FF474C' + #'Br87': '#FF474C' } } } \ No newline at end of file From 92b19d4ca787d66372c2136630f50b9200f37743 Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Mon, 30 Mar 2026 09:13:24 -0500 Subject: [PATCH 136/259] Remove warning about residence time --- mosden/base.py | 2 -- 1 file changed, 2 deletions(-) diff --git a/mosden/base.py b/mosden/base.py index c6231764..0e36c2bd 100644 --- a/mosden/base.py +++ b/mosden/base.py @@ -98,8 +98,6 @@ def __init__(self, input_path: str) -> None: self.t_in: float = modeling_options.get('incore_s', 0.0) self.t_ex: float = modeling_options.get('excore_s', 0.0) self.t_net: float = modeling_options.get('net_irrad_s', 0.0) - if self.t_in/self.t_net >= 0.9: - self.logger.warning('It is suggested to use a smaller in-core residence time or a longer total time') self.t_net = self._update_t_net() self.irrad_type: str = modeling_options.get('irrad_type', 'saturation') self.spatial_scaling: dict[str: str] = modeling_options.get( From 9ec12b13481e689f4f01141fbc54281f9c27576e Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Mon, 30 Mar 2026 09:14:36 -0500 Subject: [PATCH 137/259] Reduce warning length --- mosden/concentrations.py | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/mosden/concentrations.py b/mosden/concentrations.py index 491e7c66..d59e0b43 100644 --- a/mosden/concentrations.py +++ b/mosden/concentrations.py @@ -48,8 +48,8 @@ def __init__(self, input_path: str) -> None: if self.repr_scale <= 0.0: self.logger.info(f'{self.repr_scale = }') - self.logger.error('No valid chemical removal region provided') - self.logger.warning('Setting reprocessing scale to 1.0') + msg = 'No valid chemical removal region provided (scale set to 1.0)' + self.logger.warning(msg) self.repr_scale = 1.0 return None From 44b0e014c6abe2a5e1352ca473e40d3c093e173f Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Mon, 30 Mar 2026 10:21:08 -0500 Subject: [PATCH 138/259] Add difference and relabel pcc bar --- mosden/postprocessing.py | 6 +++++- 1 file changed, 5 insertions(+), 1 deletion(-) diff --git a/mosden/postprocessing.py b/mosden/postprocessing.py index d8257d59..c5a6dce7 100644 --- a/mosden/postprocessing.py +++ b/mosden/postprocessing.py @@ -404,7 +404,7 @@ def _get_sens_coeffs(self, write=False) -> tuple[list[dict[str, float]], edgecolor='black') handles = [plt.Rectangle((0,0),1,1, color=color_map[val]) for val in dnp_vals] plt.legend(handles, dnp_vals, title="DNP Value") - plt.xlabel(r"$U_{i}$") + plt.xlabel(r"$U_{i,v}$") plt.tight_layout() plt.savefig(f'{self.img_dir}pcc-bar.png') plt.close() @@ -782,12 +782,16 @@ def compare_yields(self) -> None: self.summed_avg_halflife = summed_avg_halflife self.group_yield = group_yield self.group_avg_halflife = group_avg_halflife + yield_diff = 1e5*(summed_yield - group_yield) + avg_hl_diff = (summed_avg_halflife - group_avg_halflife) self._plot_nuclide_count_rates(self.num_stack) self.logger.info(f'{summed_yield = }') self.logger.info(f'{summed_avg_halflife = } s') self.logger.info(f'{group_yield = }') self.logger.info(f'{group_avg_halflife = } s') + self.logger.info(f'{yield_diff = } pcm') + self.logger.info(f'{avg_hl_diff = } s') if self.omc: yields = Concentrations(self.input_path).read_omc_nuyield_json() try: From 5f03aeba7a2efb5bac125dedfb05fa2fe8a5b8c9 Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Tue, 31 Mar 2026 11:58:10 -0500 Subject: [PATCH 139/259] Add PCC cutoff setting --- mosden/base.py | 1 + mosden/templates/input_schema.json | 5 +++++ mosden/utils/defaults.py | 1 + 3 files changed, 7 insertions(+) diff --git a/mosden/base.py b/mosden/base.py index 0e36c2bd..85e1bba4 100644 --- a/mosden/base.py +++ b/mosden/base.py @@ -151,6 +151,7 @@ def __init__(self, input_path: str) -> None: self.nuc_colors = post_options.get('nuc_colors', {}) self.num_stack = post_options.get('num_stacked_nuclides', 2) self.plot_means = post_options.get('plot_means', False) + self.pcc_cutoff = post_options.get('pcc_cutoff', 0.2) self.post_irrad_only: bool = (len(self.residual_masks) == 1 and 'post-irrad' in self.residual_masks) self.no_post_irrad: bool = ('post-irrad' not in self.residual_masks and 'all' not in self.residual_masks) diff --git a/mosden/templates/input_schema.json b/mosden/templates/input_schema.json index 3aa07504..b83afd22 100644 --- a/mosden/templates/input_schema.json +++ b/mosden/templates/input_schema.json @@ -401,6 +401,11 @@ "type": "boolean", "description": "Whether to plot the nominal values in count rate figures" }, + "pcc_cutoff": { + "type": "number", + "description": "This is the cutoff value for logging PCCs", + "minimum": 0.0 + }, "lit_data": { "type": "array", "description": "Data from the literature to compare against. Must be present in the data directory", diff --git a/mosden/utils/defaults.py b/mosden/utils/defaults.py index ff123193..13d5c3fd 100644 --- a/mosden/utils/defaults.py +++ b/mosden/utils/defaults.py @@ -96,6 +96,7 @@ }, "plot_means": False, "num_stacked_nuclides": 2, + "pcc_cutoff": 0.2, "lit_data": ['keepin', 'brady', 'synetos'], "nuc_colors": { #'Br87': '#FF474C' From 4e8e414bb0a049a6cc1c1c3beb5f563d3f756836 Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Tue, 31 Mar 2026 13:29:50 -0500 Subject: [PATCH 140/259] Adjust post data loading to save memory --- mosden/multipostprocessing.py | 2 ++ mosden/postprocessing.py | 56 +++++++++++++++++++++++++++-------- 2 files changed, 46 insertions(+), 12 deletions(-) diff --git a/mosden/multipostprocessing.py b/mosden/multipostprocessing.py index d12a4ec8..31be4390 100644 --- a/mosden/multipostprocessing.py +++ b/mosden/multipostprocessing.py @@ -123,6 +123,8 @@ def _initialize_posts(self) -> None: self.hm_y_vals.append(post.hm_y) except AttributeError: self.do_heatmap = False + # Memory limitation for large datasets (~70 sims with 5k samples) + post.post_data = None return None def data_table_gen(self) -> None: diff --git a/mosden/postprocessing.py b/mosden/postprocessing.py index c5a6dce7..28e201d5 100644 --- a/mosden/postprocessing.py +++ b/mosden/postprocessing.py @@ -34,23 +34,34 @@ def __init__(self, input_path: str) -> None: super().__init__(input_path) self.markers: list[str] = ['v', 'o', 'x', '^', 's', 'D'] self.linestyles: list[str] = ['-', '--', ':', '-.'] - self.load_post_data() self.decay_times: np.ndarray[float] = CountRate(input_path).decay_times if not os.path.exists(self.img_dir): os.makedirs(self.img_dir) self.group_data = None + self.post_data = None + self.MC_half_lives = None + self.MC_yields = None + grouper = Grouper(input_path) + self.refined_fission_term = grouper._set_refined_fission_term(self.decay_times) + np.set_printoptions(legacy='1.25') + + return None + + def get_MC_data_post(self) -> None: + """ + Load post data and get the MC yield and half-lives + """ + self.load_post_data() try: self.MC_yields, self.MC_half_lives = self._get_MC_group_params() except KeyError: self.logger.warning('Postdata does not exist') except IndexError: self.logger.warning('Could not access data at target index') - grouper = Grouper(input_path) - self.refined_fission_term = grouper._set_refined_fission_term(self.decay_times) - return None + def get_colors(self, num_colors: int, colormap: str = None, min_val: float = 0.0, max_val: float = 1.0) -> list[tuple[float]]: """ @@ -256,6 +267,7 @@ def MC_NLLS_analysis(self) -> None: """ Analyze Monte Carlo Non-linear Least Squares results """ + self.get_MC_data_post() if not self.no_post_irrad: self._plot_counts() if self.MC_samples > 2: @@ -299,7 +311,7 @@ def _get_sens_coeffs(self, write=False) -> tuple[list[dict[str, float]], group_names = ['Yield', 'Half-life'] nucs_with_pcc = list() - pcc_cutoff = 0.2 + pcc_cutoff = self.pcc_cutoff summed_pcc_data = dict() scaled_uncert_pcc = dict() pcc_data = dict() @@ -365,14 +377,28 @@ def _get_sens_coeffs(self, write=False) -> tuple[list[dict[str, float]], sorted_summed_pccs = sorted(summed_pcc_data.items(), key=lambda item: item[1], reverse=True) top = 10 self.logger.info(f'Writing {top = } summed |PCC| nuclides') + PCC_table = dict() + PCC_table['Nuclide'] = list() + PCC_table[r'$PCC_{i}$'] = list() for nuc,sum_PCC in sorted_summed_pccs[:top]: - self.logger.info(f'{nuc = } {sum_PCC = }') + nuc_name = self._convert_nuc_to_latex(nuc) + PCC_table['Nuclide'].append(nuc_name) + PCC_table[r'$PCC_{i}$'].append(sum_PCC) + PCC_table = pd.DataFrame(PCC_table).to_latex(index=False) + self.logger.info(f'\n{PCC_table}') sorted_uncert_pccs = sorted(scaled_uncert_pcc.items(), key=lambda item: item[1], reverse=True) self.logger.info(f'Writing {top = } summed uncertainty times |PCC| nuclides') nucs = list() + Ui_table = dict() + Ui_table['Nuclide'] = list() + Ui_table[r'$U_{i}$'] = list() for nuc,sum_PCC in sorted_uncert_pccs[:top]: - self.logger.info(f'{nuc = } {sum_PCC = }') + nuc_name = self._convert_nuc_to_latex(nuc) + Ui_table['Nuclide'].append(nuc_name) + Ui_table[r'$U_{i}$'].append(sum_PCC) nucs.append(nuc) + Ui_table = pd.DataFrame(Ui_table).to_latex(index=False) + self.logger.info(f'\n{Ui_table}') table_data = dict() for nuc in nucs: nuc_name = self._convert_nuc_to_latex(nuc) @@ -386,10 +412,10 @@ def _get_sens_coeffs(self, write=False) -> tuple[list[dict[str, float]], False) table_data.setdefault('Nuclide', []).append(nuc_name) table_data.setdefault('DNP Value', []).append(nuc_lab) - table_data.setdefault(r'$U_{i}$', []).append(scaled_uncert) + table_data.setdefault(r'$U_{i,v}$', []).append(scaled_uncert) table_df_data: pd.DataFrame = pd.DataFrame.from_dict( table_data, orient='columns') - df_sorted = table_df_data.nlargest(top, r"$U_{i}$").sort_values(r'$U_{i}$', ascending=True) + df_sorted = table_df_data.nlargest(top, r"$U_{i,v}$").sort_values(r'$U_{i,v}$', ascending=True) dnp_vals = df_sorted["DNP Value"].unique() colors = self.get_colors(len(dnp_vals)) color_map = dict(zip(dnp_vals, colors)) @@ -400,7 +426,7 @@ def _get_sens_coeffs(self, write=False) -> tuple[list[dict[str, float]], dup_count = labels.count(label) label = label + invisible_char * dup_count labels.append(label) - plt.barh(label, row[r"$U_{i}$"], color=color_map[row["DNP Value"]], + plt.barh(label, row[r"$U_{i,v}$"], color=color_map[row["DNP Value"]], edgecolor='black') handles = [plt.Rectangle((0,0),1,1, color=color_map[val]) for val in dnp_vals] plt.legend(handles, dnp_vals, title="DNP Value") @@ -410,12 +436,18 @@ def _get_sens_coeffs(self, write=False) -> tuple[list[dict[str, float]], plt.close() table_latex = table_df_data.to_latex(index=False) self.logger.info(f'\n{table_latex}') - plt.hist(list(summed_pcc_data.values()), bins=int(np.sqrt(len(list(summed_pcc_data.values()))))) + plt.hist(list(summed_pcc_data.values()), bins=int(2*np.sqrt(len(list(summed_pcc_data.values()))))) plt.yscale('log') - plt.xlabel(r'$\Sigma\left|PCC\right|$') + plt.xlabel(r'$PCC_i$') plt.ylabel(r'Frequency') plt.savefig(f'{self.img_dir}pcc-frequency.png') plt.close() + plt.hist(list(scaled_uncert_pcc.values()), bins=int(2*np.sqrt(len(list(scaled_uncert_pcc.values()))))) + plt.yscale('log') + plt.xlabel(r'$U_i$') + plt.ylabel(r'Frequency') + plt.savefig(f'{self.img_dir}u-frequency.png') + plt.close() From 201bf8054175394b2126c771b4132dba790e8f5e Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Wed, 1 Apr 2026 10:29:03 -0500 Subject: [PATCH 141/259] Add hybrid data analysis script --- .gitignore | 1 + .../2026_data_paper/hybrid_data_analysis.py | 88 +++++++++++++++++++ 2 files changed, 89 insertions(+) create mode 100644 examples/2026_data_paper/hybrid_data_analysis.py diff --git a/.gitignore b/.gitignore index b906a747..98d8cdec 100644 --- a/.gitignore +++ b/.gitignore @@ -176,6 +176,7 @@ cython_debug/ /examples/2026_data_paper/* !/examples/2026_data_paper/input.json !/examples/2026_data_paper/results_generator.py +!/examples/2026_data_paper/hybrid_data_analysis.py /examples/phd_results/* diff --git a/examples/2026_data_paper/hybrid_data_analysis.py b/examples/2026_data_paper/hybrid_data_analysis.py new file mode 100644 index 00000000..38ec3b7d --- /dev/null +++ b/examples/2026_data_paper/hybrid_data_analysis.py @@ -0,0 +1,88 @@ +import pandas as pd +import numpy as np +import matplotlib.pyplot as plt +import seaborn as sns +plt.style.use('mosden.plotting') + + +def pure_dataset_plot(base_df: pd.DataFrame): + cfy = r'$CFY$' + tau = r'$\tau$' + pn = r'$P_n$' + nu = r'$\nu_d (I)$' + nu_err = r'$\Delta \nu_d (I)$' + hl = r'$\bar{\tau} (I)$ $[s]$' + hl_err = r'$\Delta \bar{\tau} (I)$ $[s]$' + + df = base_df.loc[base_df[cfy] == base_df[tau]] + df = df.loc[df[cfy] == df[pn]] + iaea_df_row = base_df.loc[base_df[cfy] == 'JENDL-5'].loc[base_df[pn] == 'IAEA'].loc[base_df[tau] == 'IAEA'] + pure_df = pd.concat((df, iaea_df_row)) + + ax = sns.barplot(pure_df, x=pn, y=nu, palette='viridis') + x_coords = [p.get_x() + p.get_width() / 2 for p in ax.patches] + y_coords = [p.get_height() for p in ax.patches] + ax.errorbar(x=x_coords, y=y_coords, yerr=pure_df[nu_err], + fmt='none', capsize=3) + ax.set_xticklabels(ax.get_xticklabels(), rotation=25, ha='right') + plt.xlabel('Dataset') + plt.ylim((0, np.max(1.1*pure_df[nu]))) + plt.tight_layout() + plt.savefig(f'./pure_yield_bar.png') + plt.close() + + + ax = sns.barplot(pure_df, x=pn, y=hl, palette='viridis') + x_coords = [p.get_x() + p.get_width() / 2 for p in ax.patches] + y_coords = [p.get_height() for p in ax.patches] + ax.errorbar(x=x_coords, y=y_coords, yerr=pure_df[hl_err], + fmt='none', capsize=3) + ax.set_xticklabels(ax.get_xticklabels(), rotation=25, ha='right') + plt.xlabel('Dataset') + plt.ylim((0, np.max(1.1*pure_df[hl]))) + plt.tight_layout() + plt.savefig(f'./pure_hl_bar.png') + plt.close() + + + return None + +def heatmap_plot(base_df: pd.DataFrame): + x = r'$CFY$' + y = r'$P_n$' + z = r'$\nu_d (I)$' + numin = np.min(base_df[z]) + numax = np.max(base_df[z]) + for tau in set(base_df[r'$\tau$']): + df = base_df.loc[base_df[r'$\tau$'] == tau] + X = df[x] + Y = df[y] + Z = df[z] + df = pd.DataFrame.from_dict(np.array([X, Y, Z]).T) + df.columns = [x, y, z] + pivotted = df.pivot(index=x, columns=y, values=z) + color = sns.color_palette("viridis", as_cmap=True) + pivotted = pivotted.astype(float) + ax = sns.heatmap(pivotted, cmap=color, vmin=numin, vmax=numax) + ax.set_xticklabels(ax.get_xticklabels(), rotation=25, ha='right') + ax.invert_yaxis() + ax.collections[0].colorbar.set_label(z) + plt.tight_layout() + plt.savefig(f'./yield_surf_tau_{tau.replace('/','')}.png') + plt.close() + + return None + + +def process_data(data_path: str): + df = pd.read_csv(data_path) + pure_dataset_plot(df) + heatmap_plot(df) + + return None + + + +if __name__ == '__main__': + data_table_path = './data/images/data.csv' + process_data(data_table_path) \ No newline at end of file From d6f81c251580a551c7fedd8bcea264e4b77f5b4b Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Mon, 6 Apr 2026 08:00:05 -0500 Subject: [PATCH 142/259] Add more data plotting --- .../2026_data_paper/hybrid_data_analysis.py | 58 +++++++++++-------- 1 file changed, 34 insertions(+), 24 deletions(-) diff --git a/examples/2026_data_paper/hybrid_data_analysis.py b/examples/2026_data_paper/hybrid_data_analysis.py index 38ec3b7d..cb74f1be 100644 --- a/examples/2026_data_paper/hybrid_data_analysis.py +++ b/examples/2026_data_paper/hybrid_data_analysis.py @@ -5,45 +5,55 @@ plt.style.use('mosden.plotting') -def pure_dataset_plot(base_df: pd.DataFrame): - cfy = r'$CFY$' - tau = r'$\tau$' - pn = r'$P_n$' - nu = r'$\nu_d (I)$' - nu_err = r'$\Delta \nu_d (I)$' - hl = r'$\bar{\tau} (I)$ $[s]$' - hl_err = r'$\Delta \bar{\tau} (I)$ $[s]$' - - df = base_df.loc[base_df[cfy] == base_df[tau]] - df = df.loc[df[cfy] == df[pn]] - iaea_df_row = base_df.loc[base_df[cfy] == 'JENDL-5'].loc[base_df[pn] == 'IAEA'].loc[base_df[tau] == 'IAEA'] - pure_df = pd.concat((df, iaea_df_row)) - - ax = sns.barplot(pure_df, x=pn, y=nu, palette='viridis') +def bar_plot_gen(df, nu, nu_err, hl, hl_err, dataset, save_mod=''): + ax = sns.barplot(df, x=dataset, y=nu, palette='viridis') x_coords = [p.get_x() + p.get_width() / 2 for p in ax.patches] y_coords = [p.get_height() for p in ax.patches] - ax.errorbar(x=x_coords, y=y_coords, yerr=pure_df[nu_err], + ax.errorbar(x=x_coords, y=y_coords, yerr=df[nu_err], fmt='none', capsize=3) ax.set_xticklabels(ax.get_xticklabels(), rotation=25, ha='right') plt.xlabel('Dataset') - plt.ylim((0, np.max(1.1*pure_df[nu]))) + plt.ylim((0, np.max(1.1*df[nu]))) plt.tight_layout() - plt.savefig(f'./pure_yield_bar.png') + plt.savefig(f'./{save_mod}_yield_bar.png') plt.close() - ax = sns.barplot(pure_df, x=pn, y=hl, palette='viridis') + ax = sns.barplot(df, x=dataset, y=hl, palette='viridis') x_coords = [p.get_x() + p.get_width() / 2 for p in ax.patches] y_coords = [p.get_height() for p in ax.patches] - ax.errorbar(x=x_coords, y=y_coords, yerr=pure_df[hl_err], + ax.errorbar(x=x_coords, y=y_coords, yerr=df[hl_err], fmt='none', capsize=3) ax.set_xticklabels(ax.get_xticklabels(), rotation=25, ha='right') plt.xlabel('Dataset') - plt.ylim((0, np.max(1.1*pure_df[hl]))) + plt.ylim((0, np.max(1.1*df[hl]))) plt.tight_layout() - plt.savefig(f'./pure_hl_bar.png') + plt.savefig(f'./{save_mod}_hl_bar.png') plt.close() + +def bar_plots(base_df: pd.DataFrame): + cfy = r'$CFY$' + tau = r'$\tau$' + pn = r'$P_n$' + nu = r'$\nu_d (I)$' + nu_err = r'$\Delta \nu_d (I)$' + hl = r'$\bar{\tau} (I)$ $[s]$' + hl_err = r'$\Delta \bar{\tau} (I)$ $[s]$' + + df = base_df.loc[base_df[cfy] == base_df[tau]] + df = df.loc[df[cfy] == df[pn]] + iaea_df_row = base_df.loc[base_df[cfy] == 'JENDL-5'].loc[base_df[pn] == 'IAEA'].loc[base_df[tau] == 'IAEA'] + pure_df = pd.concat((df, iaea_df_row)) + + bar_plot_gen(pure_df, nu, nu_err, hl, hl_err, pn, save_mod='pure') + + iaea_df = base_df.loc[base_df[pn] == 'IAEA'].loc[base_df[tau] == 'IAEA'] + df = iaea_df + + bar_plot_gen(iaea_df, nu, nu_err, hl, hl_err, cfy, save_mod='iaea') + + return None @@ -76,7 +86,7 @@ def heatmap_plot(base_df: pd.DataFrame): def process_data(data_path: str): df = pd.read_csv(data_path) - pure_dataset_plot(df) + bar_plots(df) heatmap_plot(df) return None @@ -85,4 +95,4 @@ def process_data(data_path: str): if __name__ == '__main__': data_table_path = './data/images/data.csv' - process_data(data_table_path) \ No newline at end of file + process_data(data_table_path) \ No newline at end of file From 1ea41409a00d87575d398fa8ca3176aa31c5ce97 Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Mon, 6 Apr 2026 08:18:33 -0500 Subject: [PATCH 143/259] Fix test to account for CFY and add more comments --- tests/unit/test_concentrations.py | 29 +++++++++++++++++++++-------- 1 file changed, 21 insertions(+), 8 deletions(-) diff --git a/tests/unit/test_concentrations.py b/tests/unit/test_concentrations.py index f913957a..7a79a711 100644 --- a/tests/unit/test_concentrations.py +++ b/tests/unit/test_concentrations.py @@ -22,6 +22,7 @@ def test_evaluate_conc(): dt = np.diff([0, 1, 2]) # N(dt) = (F*y/lam) * (1 - exp(-lam*dt)) + name = 'Fission and decay' lam = np.log(2) / 10 lam_p = np.log(2) / 10 new_conc, new_p_conc = conc._evaluate_conc( @@ -31,9 +32,10 @@ def test_evaluate_conc(): ) assert new_p_conc == 0 expected = (1.0 / lam) * (1 - np.exp(-lam * 1)) - assert np.isclose(new_conc, expected) + assert np.isclose(new_conc, expected), f"{name}" # N(dt) = N0 * exp(-lam*dt) + name = 'Pure decay' N0 = 5.0 lam = np.log(2) / 10 new_conc, new_p_conc = conc._evaluate_conc( @@ -42,9 +44,10 @@ def test_evaluate_conc(): y_p=0.0, y=1.0 ) expected = N0 * np.exp(-lam * 1) - assert np.isclose(new_conc, expected) + assert np.isclose(new_conc, expected), f"{name}" # N(dt) = N0*exp(-l*dt) + (lp*Np0/(l-lp)) * (exp(-lp*dt) - exp(-l*dt)) + name = 'Pure decay with parent' lam_p = np.log(2) / 30 lam = np.log(2) / 10 Np0, Nc0 = 10.0, 0.0 @@ -57,10 +60,11 @@ def test_evaluate_conc(): expected_c = (Nc0 * np.exp(-lam * 1) + (lam_p * Np0 / (lam - lam_p)) * (np.exp(-lam_p * 1) - np.exp(-lam * 1))) - assert np.isclose(new_p_conc, expected_p), 'Parent incorrect' - assert np.isclose(new_conc, expected_c), 'Daughter incorrect' + assert np.isclose(new_p_conc, expected_p), f'{name} Parent incorrect' + assert np.isclose(new_conc, expected_c), f'{name} Daughter incorrect' # Same but equal half-lives + name = 'Pure decay with parent (same hl)' lam_p = lam = np.log(2) / 10 Np0, Nc0 = 10.0, 0.0 new_conc, new_p_conc = conc._evaluate_conc( @@ -70,10 +74,11 @@ def test_evaluate_conc(): ) expected_p = Np0 * np.exp(-lam_p * 1) expected_c = lam_p * Np0 * 1 * np.exp(-lam * 1) - assert np.isclose(new_p_conc, expected_p), 'Parent incorrect' - assert np.isclose(new_conc, expected_c), 'Daughter incorrect' + assert np.isclose(new_p_conc, expected_p), f'{name} Parent incorrect' + assert np.isclose(new_conc, expected_c), f'{name} Daughter incorrect' # N(dt) = N0 + F*y*dt + name = 'Fission no decay' lam = 0.0 lam_p = np.log(2) / 10 new_conc, new_p_conc = conc._evaluate_conc( @@ -82,7 +87,7 @@ def test_evaluate_conc(): y_p=0.0, y=3.0 ) expected = 2.0 * 3.0 * 1 - assert np.isclose(new_conc, expected) + assert np.isclose(new_conc, expected), f'{name}' # Pulse irradiation lam = np.log(2) / 10 @@ -121,6 +126,7 @@ def test_evaluate_conc(): def test_evaluate_conc(): input_path = './tests/unit/input/input.json' conc = Concentrations(input_path) + conc.conc_method = 'IFY' times = [0, 1, 2] dt = np.diff(times) cur_conc = 0 @@ -136,4 +142,11 @@ def test_evaluate_conc(): new_conc, new_p_conc = conc._evaluate_conc(cur_conc, cur_p_conc, lam_p, lam, ti, dt, fission_rates, concs, p_concs, y_p, y) assert new_p_conc == 0 new_conc_expected = 1/lam * (1 - np.exp(-lam * 1)) - assert new_conc == new_conc_expected + assert new_conc == new_conc_expected, "Concentrations don't match" + + conc.conc_method = 'CFY' + new_conc, new_p_conc = conc._evaluate_conc(cur_conc, cur_p_conc, lam_p, lam, ti, dt, fission_rates, concs, p_concs, y_p, y) + assert new_p_conc == y_p / lam_p + new_conc_expected = (y_p + y) / lam + assert new_conc == new_conc_expected, "Concentrations don't match" + From a4fa6ccb97b1fe70f80aa1d12f74a0e9d8c7efc5 Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Mon, 6 Apr 2026 09:09:29 -0500 Subject: [PATCH 144/259] Adjust test data for corrected metastable nucs --- .../reference/test4/concentrations.csv | 376 ++-- .../test-data/reference/test4/count_rate.csv | 192 +- .../reference/test4/emission_probability.csv | 80 +- .../reference/test4/group_parameters.csv | 12 +- .../test-data/reference/test4/half_life.csv | 80 +- .../reference/test5/concentrations.csv | 378 ++-- .../test-data/reference/test5/count_rate.csv | 192 +- .../reference/test5/emission_probability.csv | 80 +- .../reference/test5/fission_yield.csv | 500 +++--- .../reference/test5/group_parameters.csv | 12 +- .../test-data/reference/test5/half_life.csv | 80 +- .../reference/test6/concentrations.csv | 370 ++-- .../test-data/reference/test6/count_rate.csv | 1542 ++++++++--------- .../reference/test6/emission_probability.csv | 80 +- .../reference/test6/group_parameters.csv | 12 +- .../test-data/reference/test6/half_life.csv | 80 +- .../reference/test8/group_parameters.csv | 12 +- 17 files changed, 2129 insertions(+), 1949 deletions(-) diff --git a/tests/integration/test-data/reference/test4/concentrations.csv b/tests/integration/test-data/reference/test4/concentrations.csv index 2f8bc1c9..c8466da6 100644 --- a/tests/integration/test-data/reference/test4/concentrations.csv +++ b/tests/integration/test-data/reference/test4/concentrations.csv @@ -1,206 +1,214 @@ Time,Nuclide,Concentration,sigma Concentration +0,Cd132,1.1028021485746955e-08,7.088530315552657e-09 +0,Co71,4.1785186194658653e-10,2.6788428230903487e-10 +0,Ag120,5.893501891906941e-05,3.823592124263742e-05 +0,Cs141,1.5149292936627432,0.030243084671351995 +0,Sr101,1.1052274127136074e-05,5.73035111097771e-06 +0,Zr107,2.4251071376241803e-09,1.5528276718413908e-09 +0,Sb136,0.00030568294518464934,0.00019569188025011738 +0,Cs145,0.0008424761561147824,0.0002012716433636504 +0,In128_m1,0.00015007082899185788,9.828080965415342e-05 +0,Nb107,3.912493986932497e-05,2.508481617918656e-05 +0,Sn134,0.00033758172126008317,0.00021630680379158422 +0,Pd123,4.8987180778214895e-09,3.1379744042959607e-09 +0,As87,0.00036726542809328237,0.00017067168386323422 +0,Tc110,0.00028660053033675804,0.00018347723482393371 +0,Rh121,5.778561433034068e-10,3.701653668806877e-10 +0,Br90,0.016766239035426535,0.001051942666338339 0,I137,1.124883996671712,0.036511612596349136 -0,In128,0.00018515600091790428,0.00012125799377666578 +0,Ga86,2.2319718521399998e-08,1.4313386139684454e-08 +0,Nb109,8.739227151016486e-07,5.657429551890969e-07 +0,Rb94,0.06742443525810204,0.003187590077704834 +0,Co73,3.5403084363953135e-11,2.2686182130984923e-11 +0,Br87,1.613172028625597,0.03500257170613949 +0,Tc114,9.940684234528315e-08,6.734638461420511e-08 +0,I139,0.027862206731330403,0.0027668873242739913 +0,La149,0.0017698988890915686,0.0010278005186328588 +0,Ni75,8.551238569868773e-09,5.473421461079408e-09 +0,In131_m1,0.0,4.76089363493358e-13 +0,Y100,0.007829086811860168,0.004311403091541925 +0,Ga79,0.000776637547547752,0.0001091030347801554 +0,Rb96,0.0007447792770115062,0.00013146288975341948 0,Ge85,2.472367262773268e-05,1.5825949552697886e-05 +0,Pd122,7.140415345845826e-08,4.573532453910508e-08 +0,Sn133,0.003380168924740183,0.001527769408816989 +0,Mo109,0.00023657536119163253,0.00015166918583668084 +0,Xe144,6.650431295523878e-05,7.413204019139573e-06 +0,Tc116,9.876290931054235e-10,6.342152243270843e-10 +0,Rb97,9.884404390803804e-05,1.4025081005467276e-05 +0,Cu73,3.628710540188767e-06,2.3259850980443915e-06 +0,Cu75,1.841674108763976e-06,1.1786780245538553e-06 +0,Zn84,9.215345558846408e-10,6.060025187057695e-10 +0,Y97_m1,0.0,1.6879531978400872e-12 +0,Se89,0.00040076866182387334,0.00011468923440760976 +0,Ag125,2.2221634526331197e-08,1.4226934977718059e-08 +0,Ga81,0.00014968035446120864,3.0328868995195228e-05 +0,Ag129,8.146975127905937e-17,5.235192892339521e-17 +0,Cu79,5.187057281392289e-09,3.3203493852175837e-09 +0,Sr102,4.966120351552528e-07,2.906831091331771e-07 +0,Xe146,1.1968117223384662e-07,6.998197933511106e-08 +0,I141,0.0003122330510313359,0.00010391235434038751 +0,Xe143,0.00026780246606506467,0.00017142265490239716 +0,Ag121,3.9138522994617927e-05,1.3601679285832257e-05 +0,Rh124,1.317362648019933e-14,8.485799335737544e-15 +0,I138,0.14378183654226137,0.00738092441091746 +0,Co74,3.714583466847598e-12,2.383938917381913e-12 +0,Xe142,0.008734404596595503,0.0007717214662392944 0,Kr98,9.703877356272816e-07,6.275780409707926e-07 -0,Cd127,4.034103827330181e-05,1.8718396672143557e-05 +0,Ag124,1.5865435514166304e-06,1.0416842971397075e-06 0,Nb108,2.644076146886239e-06,1.6942242392122814e-06 -0,Sr99,0.0006840018870407429,0.00014091802915365472 -0,Cs145,0.0008424761561147824,0.0002012716433636504 +0,Mn70,6.387936031743079e-15,3.1367177186332335e-14 +0,Cd128,1.200596730239502e-05,7.684501989780481e-06 +0,Zn80,2.287123077337393e-06,1.4638078053115882e-06 +0,Br91,0.0019750917992539508,0.0003224796187942117 +0,Y103,3.096588292065301e-05,1.9929011791787224e-05 +0,Rh118,1.2216540001157338e-06,7.830249322276764e-07 +0,Ru121,2.648135217281255e-13,1.7153741900402487e-13 +0,Rb101,1.6599520019262258e-09,1.0885135197405837e-09 +0,Y105,2.763124101479045e-07,1.7792740465621804e-07 +0,In129,0.0002586471979949641,9.225562787847963e-05 +0,Ge84,0.00045104752694433245,0.0001279529210628389 +0,Zn82,3.827828645074522e-08,2.450406398753393e-08 +0,Ba147,0.003557587610769557,0.00072776498354934 +0,La148,0.007880688724128181,0.0048148686975924134 +0,Br94,5.582562850322886e-07,3.453630888004618e-07 +0,Co70,1.1612902282163813e-09,7.46696594703663e-10 +0,Sr98,0.008366125138553443,0.0006899417912009069 +0,Cs142,0.06751075815845875,0.002570603237750841 +0,Tc112,8.549686399521445e-06,5.478961418588178e-06 +0,Ga87,1.7190557841372488e-11,1.1254572026525765e-11 +0,Kr95,2.1642104434272682e-05,1.0272138585381986e-05 +0,Sn137,6.64255242484076e-08,4.281840831088093e-08 +0,Zn83,7.587942699270835e-10,4.861648669530365e-10 +0,Ag122_m1,1.6480012211507657e-06,1.1323349785420852e-06 +0,In130,0.00038133754260743277,0.00012727776011205709 +0,Co75,3.983443711434402e-13,2.555777711492282e-13 0,Ni77,1.9930357141235271e-10,1.2766074672988774e-10 -0,Cu75,1.841674108763976e-06,1.1786780245538553e-06 -0,Kr97,6.120277560781505e-08,3.9367684925001434e-08 -0,Rh116,1.6833222701092596e-05,1.0873991390751045e-05 +0,Te136,0.37145249359884425,0.03684455952244577 +0,Br89,0.07061365229886706,0.003225780945051474 +0,Rh116,2.037705905921735e-05,1.312465419357817e-05 +0,Ag128,1.4664314181857866e-14,9.400348352416019e-15 0,Nb106,0.0006991074648942952,0.00035928195465386245 -0,Y105,2.763124101479045e-07,1.7792740465621804e-07 +0,Se88,0.008725670102436401,0.0016103097989740584 +0,Tc115,9.544240702899129e-09,6.113200861999318e-09 +0,Nb110,2.1731320811016862e-08,1.3911070045878708e-08 +0,Rb93,0.30198094592393293,0.005821813919733452 +0,Xe145,1.9493607264022407e-06,1.1892804191937006e-06 +0,Kr97,6.120277560781505e-08,3.9367684925001434e-08 +0,Zn79,1.8556571217110535e-05,8.755041494952658e-06 +0,Tc113,1.1468694994298554e-06,7.364742582422146e-07 +0,Xe141,0.033628303156581864,0.001098400502873031 +0,I140,0.0016204718297961255,0.00045796333619904 0,Cu80,3.119951022960229e-10,2.004528254841781e-10 +0,Sb134_m1,0.05816203636207889,0.037228313980850664 +0,Cd129,6.704820593435391e-09,4.294759460349018e-09 +0,Mo110,2.8201405889307312e-05,1.8075630147105326e-05 +0,Rb92,0.31046562120638826,0.005415298698972368 +0,Y99,0.047229472611507894,0.0036985953470681206 +0,Cs146,6.112782943838794e-05,2.0230510044235075e-05 +0,Zr106,9.605570053132736e-08,6.15955680804897e-08 +0,La147,0.05646805136735979,0.004083902249234997 +0,As85,0.006653360755611069,0.00425821510283963 +0,In127_m1,0.0006027046705470523,0.00017574934844632762 +0,Ba149,1.6988892186630768e-05,1.0876743125940358e-05 +0,Y98_m1,0.03771676309623113,0.011912545747929304 +0,Ru116,5.743691422482375e-07,3.679876042689996e-07 +0,Sr99,0.0006840018870407429,0.00014091802915365472 +0,Y101,0.0021423491599582094,0.0002490686180773977 +0,Cs143,0.039438108913487376,0.0018528385390435378 +0,Rh123,8.024841809363674e-13,5.147283928663602e-13 +0,Pd126,0.0,7.040351799538143e-14 +0,Kr93,0.009954561927852018,0.00046187957585652837 +0,Ga82,5.661368461211863e-05,3.6233255062432184e-05 +0,Br92,0.00017956756774146004,0.00011516952272269984 +0,Co72,8.855792578628453e-11,5.667938510279351e-11 +0,Cd131,1.567338860024903e-05,1.0423246761221736e-05 0,Pd127,1.8366220561866707e-21,5.2081292151530687e-14 -0,Xe145,1.9493607264022407e-06,1.1892804191937006e-06 -0,Ga85,7.137762224471928e-09,4.569118997639451e-09 -0,Nb109,8.739227151016486e-07,5.657429551890969e-07 +0,In132,2.6577870678371435e-05,6.257979479930021e-06 +0,Cu74,1.7729931107953449e-06,1.1348210676803998e-06 +0,Zr105,0.0011597152301053239,0.0007438169969402623 +0,Ru120,6.321956065607958e-12,4.055807566228364e-12 +0,Kr96,4.343509840966059e-05,2.8057050158493928e-05 +0,Zr104,0.0017338363448713078,0.0004261530227089933 +0,Cs144,0.007066471910833082,0.0006504975058304286 +0,In131,9.591139784521415e-05,3.246614676490329e-05 +0,Ba148,0.00029964949642038893,0.00015635557535715374 +0,Br93,1.1922242997979442e-05,5.607677951950299e-06 +0,Ag123,2.076755904622061e-06,1.3302804913781086e-06 +0,Ru119,2.492105711517945e-10,1.5965735342914224e-10 +0,Mn68,1.3118638780084598e-12,8.428952643773895e-13 +0,Ru117,6.478688702697007e-08,4.148333922735342e-08 +0,In133,1.2441695013508289e-06,7.964156723252753e-07 +0,Nb105,0.014313971012599316,0.004215123848896034 +0,Y97,0.2653461881665886,0.058341385823994944 +0,As86,0.007312327422157877,0.001248226404037368 +0,Sb140,2.2277131946964026e-09,1.4286859167688342e-09 +0,In128,0.00021601533440422166,0.00013910803529059815 0,Mo111,2.924221701893955e-06,1.8768458562140055e-06 -0,I139,0.027862206731330403,0.0027668873242739913 -0,In129,0.0004964151328898405,0.00017704721098212668 -0,Sb134,0.06121052567179954,0.03917957608041593 -0,Rh119,1.5792294141133458e-07,1.0119476469782427e-07 -0,Te138,0.0019087297014339954,0.0008040684073677114 -0,Cs147,9.42927671179463e-06,6.034877089425987e-06 -0,Ge84,0.00045104752694433245,0.0001279529210628389 -0,Xe142,0.008734404596595503,0.0007717214662392944 -0,Pd124,6.405471384033167e-10,4.10459827748859e-10 -0,Ag126,1.3665559995999743e-12,8.747957868181175e-13 -0,Cs143,0.039438108913487376,0.0018528385390435378 -0,Kr92,0.04576464673689404,0.00140817874136106 -0,Co75,3.983443711434402e-13,2.555777711492282e-13 -0,Ni76,1.914336482878104e-09,1.2253719418304947e-09 -0,Tc114,1.1045204705031464e-07,7.406052033789203e-08 -0,La150,0.00015365829435237658,9.852577263400666e-05 -0,Sb136,0.00030568294518464934,0.00019569188025011738 -0,Rb96,0.0007447792770115062,0.00013146288975341948 +0,Sr97,0.011192718346964479,0.0005137801583767754 +0,Mn66,1.0035518120164117e-11,6.425070793366717e-12 +0,Cu81,1.6580134093189317e-11,1.0821765176749329e-11 +0,Kr99,5.173888915053951e-10,3.651111255149778e-10 +0,Tc111,3.1771370825182855e-05,2.0448226309628567e-05 +0,Sb138,1.1157919796704903e-06,7.145188610770758e-07 +0,Rb102,1.3968121838393133e-10,9.136707632230562e-11 0,Rh122,2.34816607056694e-11,1.504336202637936e-11 -0,Cs150,2.8325501102290097e-10,1.815865564460341e-10 -0,Sr101,1.1052274127136074e-05,5.73035111097771e-06 -0,Rh120,1.8075694537022572e-08,1.158837951994366e-08 -0,Ag129,8.146975127905937e-17,5.235192892339521e-17 +0,Rb98,1.3310470862114545e-05,5.543196498594369e-06 0,Te137,0.01841686961734059,0.0024003672807921587 +0,Sb135,0.004583013179731559,0.0004883741237386519 +0,Ni76,1.914336482878104e-09,1.2253719418304947e-09 +0,Pd121,6.11809252628598e-07,3.915644058359829e-07 0,Sb137,0.0005296226051203003,0.0003399669488571203 -0,Y103,3.096588292065301e-05,1.9929011791787224e-05 -0,Co70,5.220667574636474e-09,3.341990015635059e-09 -0,Pd126,0.0,7.040351799538143e-14 -0,Cs141,1.5149292936627432,0.030243084671351995 -0,Zn84,9.215345558846408e-10,6.060025187057695e-10 -0,Kr94,0.0003645196368625332,7.898348785454662e-05 -0,As86,0.007312327422157877,0.001248226404037368 -0,Xe143,0.00026780246606506467,0.00017142265490239716 -0,Cs148,2.9493153810400625e-07,1.8877038232218619e-07 -0,Ga84,1.4500620138828879e-05,9.28822162704711e-06 -0,Rb95,0.004457915583677064,0.00030997827217864 -0,Rb99,7.433374824143002e-07,4.758741360333016e-07 -0,Br89,0.07061365229886706,0.003225780945051474 -0,Sr97,0.011192718346964479,0.0005137801583767754 -0,Cu73,3.628710540188767e-06,2.3259850980443915e-06 -0,Br93,1.1922242997979442e-05,5.607677951950299e-06 -0,Rh123,8.024841809363674e-13,5.147283928663602e-13 -0,Cs142,0.06751075815845875,0.002570603237750841 -0,Rb101,1.6599520019262258e-09,1.0885135197405837e-09 -0,Cu76,7.730088290947924e-07,4.94820688699058e-07 -0,Rh117,6.336373360780286e-06,4.099930185585952e-06 -0,Br88,0.41470069266932635,0.015258378692793471 -0,Rb98,1.1111349589243446e-05,4.60401868679116e-06 +0,Pd125,9.571390082897755e-12,6.2187422023649836e-12 +0,Pd124,6.405471384033167e-10,4.10459827748859e-10 +0,In130_m2,0.0,7.718418468755954e-13 0,Cu77,3.2883768321162164e-07,2.1046103474122743e-07 -0,Ga86,2.2319718521399998e-08,1.4313386139684454e-08 -0,Zr106,9.605570053132736e-08,6.15955680804897e-08 -0,Ag125,2.0075226645946934e-08,1.311891965347068e-08 +0,Cs150,2.8325501102290097e-10,1.815865564460341e-10 +0,Se87,0.062451803367402935,0.0037407479198569055 +0,Ru118,6.521136950883246e-09,4.178204491630281e-09 0,In134,4.869767932653489e-08,3.1259928799991265e-08 -0,Sn134,0.00033758172126008317,0.00021630680379158422 -0,Y104,4.139597073282549e-06,2.677971741982095e-06 -0,Ga83,1.6983238957259143e-06,1.0869411087348493e-06 -0,I141,0.0003122330510313359,0.00010391235434038751 -0,I140,0.0016204718297961255,0.00045796333619904 -0,Ru121,2.648135217281255e-13,1.7153741900402487e-13 -0,Se88,0.008725670102436401,0.0016103097989740584 -0,Ru119,2.492105711517945e-10,1.5965735342914224e-10 -0,Zr107,2.4251071376241803e-09,1.5528276718413908e-09 -0,Sn137,6.64255242484076e-08,4.281840831088093e-08 -0,Tc109,0.0005203764432953729,0.00016049112601211824 -0,Cu74,1.7729931107953449e-06,1.1348210676803998e-06 -0,Sr98,0.008366125138553443,0.0006899417912009069 -0,Y97,0.08300936902537666,0.018341329943598304 -0,Ga82,5.661368461211863e-05,3.6233255062432184e-05 -0,Y98,0.06743365234817927,0.015236638135122315 -0,Y99,0.047229472611507894,0.0036985953470681206 -0,Zr104,0.0017338363448713078,0.0004261530227089933 -0,La148,0.007880688724128181,0.0048148686975924134 -0,Tc113,1.1468694994298554e-06,7.364742582422146e-07 -0,Pd128,6.611138771852354e-16,3.0213578605393026e-15 -0,Y102,0.0012168645038974585,0.0007581592424983709 -0,Ag120,2.7586604600415468e-05,1.7931562214081935e-05 -0,Tc110,0.00028660053033675804,0.00018347723482393371 +0,Ga84,1.4500620138828879e-05,9.28822162704711e-06 +0,Kr92,0.04576464673689404,0.00140817874136106 +0,In129_m1,0.0004612808656908789,0.00010107794611441383 +0,Ag120_m1,2.149587963116792e-05,1.3792915082334519e-05 +0,Cs147,9.42927671179463e-06,6.034877089425987e-06 +0,Br88,0.41470069266932635,0.015258378692793471 +0,La150,0.00015365829435237658,9.852577263400666e-05 0,Rb100,2.434429436958616e-05,1.5609569662173555e-05 -0,Sr100,0.00016219761776882394,5.541832406944447e-05 -0,Cu81,1.6580134093189317e-11,1.0821765176749329e-11 -0,Zn83,7.587942699270835e-10,4.861648669530365e-10 -0,Mn69,1.1506290659448556e-13,7.469142630827825e-14 -0,Pd121,6.11809252628598e-07,3.915644058359829e-07 -0,In133,1.2825697946023977e-06,8.251795873235754e-07 -0,Nb107,3.912493986932497e-05,2.508481617918656e-05 -0,Sn136,4.469327600809717e-07,2.8610385621492065e-07 -0,Mn68,1.3118638780084598e-12,8.428952643773895e-13 -0,Tc111,3.1771370825182855e-05,2.0448226309628567e-05 -0,Cs144,0.007066471910833082,0.0006504975058304286 -0,Rb94,0.06742443525810204,0.003187590077704834 -0,Co71,4.1785186194658653e-10,2.6788428230903487e-10 -0,Ru120,6.321956065607958e-12,4.055807566228364e-12 -0,Cd128,1.200596730239502e-05,7.684501989780481e-06 -0,Cs149,3.81276581239941e-09,2.44952322266523e-09 -0,Sr102,4.966120351552528e-07,2.906831091331771e-07 -0,Cd132,1.1028021485746955e-08,7.088530315552657e-09 -0,As85,0.006653360755611069,0.00425821510283963 -0,Zn79,1.8556571217110535e-05,8.755041494952658e-06 -0,Sb140,2.2277131946964026e-09,1.4286859167688342e-09 -0,Kr96,4.343509840966059e-05,2.8057050158493928e-05 -0,Cs146,6.112782943838794e-05,2.0230510044235075e-05 -0,In130,0.0007418748556180965,0.0002468110512361579 -0,In127,0.002334005486818431,0.00041732380401367995 -0,Te136,0.37145249359884425,0.03684455952244577 -0,Ag128,1.4664314181857866e-14,9.400348352416019e-15 -0,Se91,6.1292580625776354e-06,4.083649600135913e-06 -0,Ru117,6.478688702697007e-08,4.148333922735342e-08 +0,Ag127,2.6941570244741086e-13,1.7244748256361564e-13 0,Cd130,0.00015488037773644188,9.91621278521787e-05 -0,Mo110,2.8201405889307312e-05,1.8075630147105326e-05 -0,Tc115,9.544240702899129e-09,6.113200861999318e-09 -0,Ru118,6.521136950883246e-09,4.178204491630281e-09 -0,Br87,1.613172028625597,0.03500257170613949 -0,Zr105,0.0011597152301053239,0.0007438169969402623 -0,Ag123,2.076755904622061e-06,1.3302804913781086e-06 +0,Cs149,3.81276581239941e-09,2.44952322266523e-09 +0,Ag122,4.554342579089505e-06,2.919366103086645e-06 +0,Nb104,0.033531964280982776,0.02163429837481858 +0,Kr94,0.0003645196368625332,7.898348785454662e-05 +0,Ga85,7.137762224471928e-09,4.569118997639451e-09 +0,Y102,0.0012168645038974585,0.0007581592424983709 +0,Cu76,7.730088290947924e-07,4.94820688699058e-07 +0,Rh117,6.336373360780286e-06,4.099930185585952e-06 0,Zn81,7.268557156836453e-08,4.7335143212675794e-08 -0,Ag124,1.1961375466177736e-06,7.83346609221635e-07 -0,Ag127,2.6941570244741086e-13,1.7244748256361564e-13 -0,Mn70,6.387936031743079e-15,3.1367177186332335e-14 -0,Xe144,6.650431295523878e-05,7.413204019139573e-06 -0,Ba148,0.00029964949642038893,0.00015635557535715374 -0,Br94,5.582562850322886e-07,3.453630888004618e-07 -0,Y100,0.010053745359492567,0.005545365975430271 -0,Br91,0.0019750917992539508,0.0003224796187942117 -0,Se89,0.00040076866182387334,0.00011468923440760976 -0,Zr103,0.012249494448121324,0.006736348916645337 -0,Ga79,0.000776637547547752,0.0001091030347801554 -0,Cu79,5.187057281392289e-09,3.3203493852175837e-09 -0,As87,0.00036726542809328237,0.00017067168386323422 -0,Sb135,0.004583013179731559,0.0004883741237386519 -0,Nb104,0.006706392856196554,0.0043187346962282784 -0,Nb105,0.014313971012599316,0.004215123848896034 -0,Mo109,0.00023657536119163253,0.00015166918583668084 -0,I138,0.14378183654226137,0.00738092441091746 -0,Pd123,4.8987180778214895e-09,3.1379744042959607e-09 -0,Y101,0.0021423491599582094,0.0002490686180773977 -0,Xe147,3.2314501563586603e-09,2.1296804203363497e-09 -0,Ni75,8.551238569868773e-09,5.473421461079408e-09 -0,Cd131,1.567338860024903e-05,1.0423246761221736e-05 -0,Rh124,1.317362648019933e-14,8.485799335737544e-15 -0,Sb138,1.1157919796704903e-06,7.145188610770758e-07 -0,Rb97,9.884404390803804e-05,1.4025081005467276e-05 -0,Zn80,2.287123077337393e-06,1.4638078053115882e-06 -0,Kr93,0.009954561927852018,0.00046187957585652837 -0,Ru116,5.743691422482375e-07,3.679876042689996e-07 -0,Cu78,6.869117893047866e-08,4.396440071032322e-08 -0,Xe141,0.033628303156581864,0.001098400502873031 +0,Cs148,2.9493153810400625e-07,1.8877038232218619e-07 0,As84,0.007818287034828862,0.0050050756355145285 -0,Cd129,6.704820593435391e-09,4.294759460349018e-09 -0,Sn133,0.003380168924740183,0.001527769408816989 -0,Xe146,1.1968117223384662e-07,6.998197933511106e-08 -0,Tc116,9.876290931054235e-10,6.342152243270843e-10 -0,Pd122,7.140415345845826e-08,4.573532453910508e-08 -0,Rh118,1.2216540001157338e-06,7.830249322276764e-07 -0,In131,0.00011538213274612227,4.4513428102614914e-05 -0,Co74,3.714583466847598e-12,2.383938917381913e-12 -0,Co73,3.5403084363953135e-11,2.2686182130984923e-11 -0,La149,0.0017698988890915686,0.0010278005186328588 -0,Zn82,3.827828645074522e-08,2.450406398753393e-08 -0,Co68,2.993155938864235e-08,1.9961406983167857e-08 -0,Ga81,0.00014968035446120864,3.0328868995195228e-05 +0,Rh120,1.8075694537022572e-08,1.158837951994366e-08 +0,Y104,4.139597073282549e-06,2.677971741982095e-06 0,Ge86,0.0019138843158365434,0.0003605993570088887 -0,Tc112,8.549686399521445e-06,5.478961418588178e-06 -0,Ag122,1.7218686499393215e-06,1.1830880842667757e-06 -0,Ba149,1.6988892186630768e-05,1.0876743125940358e-05 -0,La147,0.05646805136735979,0.004083902249234997 -0,Co72,8.219551170066798e-11,5.2612120703889907e-11 -0,Rh121,5.778561433034068e-10,3.701653668806877e-10 -0,Ag121,3.9138522994617927e-05,1.3601679285832257e-05 -0,Br92,0.00017956756774146004,0.00011516952272269984 -0,Rb92,0.31046562120638826,0.005415298698972368 +0,Sn136,4.469327600809717e-07,2.8610385621492065e-07 +0,Te138,0.0019087297014339954,0.0008040684073677114 +0,Pd128,6.611138771852354e-16,3.0213578605393026e-15 +0,Xe147,3.2314501563586603e-09,2.1296804203363497e-09 +0,Mn69,1.1506290659448556e-13,7.469142630827825e-14 +0,In130_m1,0.0,7.718418468755954e-13 +0,Rb95,0.004457915583677064,0.00030997827217864 +0,Rb99,7.433374824143002e-07,4.758741360333016e-07 +0,Zr103,0.012249494448121324,0.006736348916645337 +0,Rh119,1.5792294141133458e-07,1.0119476469782427e-07 0,Sn135,1.1516068067321044e-05,5.95250625340372e-06 +0,Y98,0.015928293744311314,0.0035573158450251524 +0,Ga80,0.00033265951513173416,8.711255569939079e-05 +0,Nb104_m1,0.004844267933525279,0.0031195774792724617 +0,Se91,6.1292580625776354e-06,4.083649600135913e-06 +0,Ga83,1.6983238957259143e-06,1.0869411087348493e-06 +0,In127,0.0007012338209429614,0.00012542909821947797 0,Sb139,4.471576884286194e-08,2.8703357344779696e-08 -0,Kr95,2.1642104434272682e-05,1.0272138585381986e-05 -0,Br90,0.016766239035426535,0.001051942666338339 -0,Kr99,5.173888915053951e-10,3.651111255149778e-10 -0,Rb93,0.30198094592393293,0.005821813919733452 -0,Mn66,1.0035518120164117e-11,6.425070793366717e-12 -0,Ba147,0.003557587610769557,0.00072776498354934 -0,Rb102,1.3968121838393133e-10,9.136707632230562e-11 -0,Ga87,1.7190557841372488e-11,1.1254572026525765e-11 -0,Ga80,0.00022760914193223916,6.808249119945713e-05 -0,In132,2.6577870678371435e-05,6.257979479930021e-06 -0,Se87,0.062451803367402935,0.0037407479198569055 -0,Nb110,2.72365887498078e-08,1.7625407623285278e-08 -0,Pd125,9.571390082897755e-12,6.2187422023649836e-12 +0,Sr100,0.00016219761776882394,5.541832406944447e-05 +0,Cu78,6.869117893047866e-08,4.396440071032322e-08 +0,Tc109,0.0005203764432953729,0.00016049112601211824 diff --git a/tests/integration/test-data/reference/test4/count_rate.csv b/tests/integration/test-data/reference/test4/count_rate.csv index 8d238861..7088041c 100644 --- a/tests/integration/test-data/reference/test4/count_rate.csv +++ b/tests/integration/test-data/reference/test4/count_rate.csv @@ -1,101 +1,101 @@ times,counts,sigma counts -0.0,0.023600336170557675,0.004821949019405518 -6.0606060606060606,0.006052130164756723,0.000491491807008618 -12.121212121212121,0.00376718737209701,0.00021011061459441744 -18.18181818181818,0.0028086358183352293,0.00013704160484092435 -24.242424242424242,0.002235504613461828,0.00010390518503035691 -30.303030303030305,0.0018320132373954193,8.314454514680999e-05 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+212.12121212121212,4.2543607248301044e-05,1.9163324220706034e-06 +218.1818181818182,3.8901496544501255e-05,1.7551970237391737e-06 +224.24242424242425,3.561225893766594e-05,1.6093013844893199e-06 +230.3030303030303,3.263598210804217e-05,1.4769662506006922e-06 +236.36363636363637,2.9937990585322375e-05,1.356728828436299e-06 +242.42424242424244,2.748807666124451e-05,1.247311025491189e-06 +248.48484848484847,2.525985307550239e-05,1.1475928081316484e-06 +254.54545454545453,2.3230207182833192e-05,1.056589795060522e-06 +260.6060606060606,2.137883982774472e-05,9.734343650580344e-07 +266.6666666666667,1.968787503958284e-05,8.97359686954153e-07 +272.72727272727275,1.8141529032193078e-05,8.276861849809677e-07 +278.7878787878788,1.6725828944312745e-05,7.638100383324172e-07 +284.8484848484849,1.5428373365907238e-05,7.05193383681331e-07 +290.9090909090909,1.4238128024234929e-05,6.513559465795427e-07 +296.96969696969694,1.3145251102074187e-05,6.018678745104007e-07 +303.030303030303,1.2140943570422541e-05,5.563435828158028e-07 +309.09090909090907,1.121732067261385e-05,5.144364563455623e-07 +315.1515151515151,1.0367301323568977e-05,4.758342757374587e-07 +321.2121212121212,9.58451270918291e-06,4.402552587518424e-07 +327.27272727272725,8.863207804993512e-06,4.074446248815617e-07 +333.3333333333333,8.198193895317952e-06,3.77171606206691e-07 +339.3939393939394,7.5847704763460645e-06,3.4922683970917546e-07 +345.45454545454544,7.018675179421812e-06,3.2342008644888793e-07 +351.5151515151515,6.496036562312861e-06,2.9957823149186454e-07 +357.57575757575756,6.01333279358945e-06,2.775435255695674e-07 +363.6363636363636,5.567355404032211e-06,2.571720353772115e-07 +369.6969696969697,5.15517740400397e-06,2.383322743881738e-07 +375.75757575757575,4.774125170881584e-06,2.2090399023354106e-07 +381.8181818181818,4.421753599211462e-06,2.0477708820525399e-07 +387.8787878787879,4.095824080936562e-06,1.8985067339884926e-07 +393.93939393939394,3.7942849460979785e-06,1.7603219650890025e-07 +400.0,3.515254047718679e-06,1.6323669040256094e-07 +406.06060606060606,3.257003219696828e-06,1.5138608638679847e-07 +412.1212121212121,3.0179443747785103e-06,1.404086006049361e-07 +418.1818181818182,2.7966170421371217e-06,1.3023818229126684e-07 +424.24242424242425,2.591677171672936e-06,1.208140167147118e-07 +430.3030303030303,2.401887055626559e-06,1.1208007658379831e-07 +436.3636363636364,2.226106238115292e-06,1.0398471649068554e-07 +442.42424242424244,2.0632833002897913e-06,9.648030566253093e-08 +448.4848484848485,1.912448423421505e-06,8.952289488174088e-08 +454.54545454545456,1.7727066447486663e-06,8.307191394731551e-08 +460.6060606060606,1.6432317316495318e-06,7.708989648997714e-08 +466.6666666666667,1.5232606089447735e-06,7.154222933448151e-08 +472.72727272727275,1.4120882820830891e-06,6.639692393224836e-08 +478.7878787878788,1.3090632058261906e-06,6.162440767362949e-08 +484.8484848484849,1.2135830539827166e-06,5.719733313803295e-08 +490.9090909090909,1.125090850881611e-06,5.309040355705959e-08 +496.96969696969694,1.0430714297394215e-06,4.928021295528218e-08 +503.030303030303,9.670481869604478e-07,4.574509959914613e-08 +509.09090909090907,8.965801047964722e-07,4.2465011529940205e-08 +515.1515151515151,8.312590177541467e-07,3.942138308466066e-08 +521.2121212121212,7.707071007327034e-07,3.6597021421234835e-08 +527.2727272727273,7.145745591531545e-07,3.3976002164007145e-08 +533.3333333333334,6.625375033458384e-07,3.154357337335442e-08 +539.3939393939394,6.142959912328441e-07,2.928606712127371e-08 +545.4545454545455,5.695722249069688e-07,2.719081802405227e-08 551.5151515151515,5.281088880963481e-07,2.5246088144781702e-08 557.5757575757576,4.896676127367004e-07,2.3440997733463865e-08 563.6363636363636,4.5402756397112417e-07,2.1765461321594076e-08 -569.6969696969697,4.2098413387735e-07,2.0210128732097215e-08 -575.7575757575758,3.903477350990965e-07,1.876633060495577e-08 -581.8181818181818,3.619426863440573e-07,1.7426028074325982e-08 -587.8787878787879,3.3560618241714127e-07,1.6181766264861343e-08 -593.9393939393939,3.111873420931026e-07,1.5026631303744378e-08 +569.6969696969697,4.2098413387735e-07,2.021012873209721e-08 +575.7575757575758,3.903477350990964e-07,1.8766330604955765e-08 +581.8181818181818,3.6194268634405724e-07,1.7426028074325982e-08 +587.8787878787879,3.356061824171413e-07,1.6181766264861343e-08 +593.9393939393939,3.1118734209310265e-07,1.5026631303744375e-08 600.0,2.8854632770590936e-07,1.3954210570925084e-08 diff --git a/tests/integration/test-data/reference/test4/emission_probability.csv b/tests/integration/test-data/reference/test4/emission_probability.csv index 7c78015b..787e5dc2 100644 --- a/tests/integration/test-data/reference/test4/emission_probability.csv +++ b/tests/integration/test-data/reference/test4/emission_probability.csv @@ -29,7 +29,8 @@ F22,4.23,0.04,0.055,0.055 F23,2.23,0.14,0.07,0.07 F24,0.382,0.016,0.029500000000000002,0.029500000000000002 F25,0.075,0.01,0.195,0.05 -F26,0.0022,0.0001,0.021599999999999998,0.019534584715319648 +F26,0.0082,0.0009,0.135,0.04 +F26_m1,0.0022,0.0001,0.021599999999999998,0.019534584715319648 F27,0.0057,0.0008,0.8,0.2 F29,0.00267,0.00021,0.6,0.4 Ne26,0.195,0.002,0.0013,0.0003 @@ -96,7 +97,7 @@ Ca52,4.6,0.3,0.01,0.01 Ca53,0.461,0.09,0.4,0.1 Sc54,0.526,0.015,0.16,0.09 Sc55,0.096,0.002,0.17,0.07 -Sc56,0.069,0.007,0.24,0.12 +Sc56_m1,0.069,0.007,0.24,0.12 V59,0.092,0.009,0.06,0.03 V61,0.0483,0.001,0.2,0.1 V63,0.0196,0.001,0.67,0.33 @@ -106,10 +107,12 @@ Mn66,0.0639,0.0011,0.05,0.013999999999999999 Mn68,0.0352,0.002,0.15,0.09 Mn69,0.0258,0.0028,0.4,0.2 Mn70,0.0199,0.0017,0.5,0.2 -Co68,1.6,0.3,0.06,0.03 -Co70,0.508,0.007,0.03,0.015 +Co68_m1,1.6,0.3,0.06,0.03 +Co70,0.113,0.007,0.03,0.015 +Co70_m1,0.508,0.007,0.03,0.015 Co71,0.08,0.003,0.188,0.08121576201698781 -Co72,0.0478,0.0005,0.074,0.03059411708155671 +Co72,0.0515,0.0003,0.074,0.03059411708155671 +Co72_m1,0.0478,0.0005,0.074,0.03059411708155671 Co73,0.0407,0.0013,0.26,0.09848857801796104 Co74,0.0314,0.0015,0.22999999999999998,0.1522366578718805 Co75,0.0265,0.0012,0.08,0.08 @@ -132,7 +135,8 @@ Zn82,0.1779,0.0025,0.69,0.07 Zn83,0.0997,0.003,0.71,0.29 Zn84,0.0536,0.0081,0.73,0.26 Ga79,2.852,0.01,0.00084,0.00029 -Ga80,1.3,0.2,0.0045000000000000005,0.0007000000000000001 +Ga80,1.9,0.1,0.0045000000000000005,0.0007000000000000001 +Ga80_m1,1.3,0.2,0.0045000000000000005,0.0007000000000000001 Ga81,1.217,0.004,0.125,0.008 Ga82,0.601,0.002,0.22699999999999998,0.02 Ga83,0.31,0.001,0.67,0.06 @@ -173,7 +177,8 @@ Rb94,2.704,0.015,0.1039,0.0022 Rb95,0.378,0.002,0.08800000000000001,0.004 Rb96,0.2016,0.001,0.141,0.008 Rb97,0.169,0.001,0.249,0.015 -Rb98,0.096,0.003,0.07204,0.009001088823025803 +Rb98,0.115,0.006,0.07204,0.009001088823025803 +Rb98_m1,0.096,0.003,0.07204,0.009001088823025803 Rb99,0.0578,0.0009,0.191,0.023 Rb100,0.051,0.002,0.059,0.012041594578792296 Rb101,0.0315,0.0045,0.28,0.05 @@ -184,11 +189,15 @@ Sr99,0.269,0.002,0.00096,0.00016 Sr100,0.2007,0.0013,0.0111,0.0021 Sr101,0.115,0.001,0.0252,0.0025 Sr102,0.072,0.008,0.055,0.02 -Y97,1.17,0.03,0.0003972,0.0003972 -Y98,2.32,0.08,0.03096,0.009216078341680914 +Y97,3.74,0.05,0.00057594,9.93e-05 +Y97_m1,1.17,0.03,0.0003972,0.0003972 +Y98,0.548,0.002,0.0033,0.0003 +Y98_m1,2.32,0.08,0.03096,0.009216078341680914 Y99,1.478,0.007,0.0197,0.003 -Y100,0.94,0.03,0.0051,0.0006 +Y100,0.732,0.005,0.0051,0.0006 +Y100_m1,0.94,0.03,0.0051,0.0006 Y101,0.432,0.012,0.019799999999999998,0.002 +Y102_m1,0.396,0.036,0.06,0.017 Y102,0.3,0.01,0.04,0.015 Y103,0.236,0.016,0.081,0.02 Y104,0.212,0.02,0.34,0.1 @@ -198,13 +207,15 @@ Zr104,0.92,0.028,0.005,0.005 Zr105,0.666,0.028,0.01,0.01 Zr106,0.175,0.007,0.035,0.035 Zr107,0.15,0.003,0.115,0.115 -Nb104,0.98,0.07,0.0005,0.0003 +Nb104,4.9,0.4,0.0006,0.0003 +Nb104_m1,0.98,0.07,0.0005,0.0003 Nb105,2.91,0.07,0.017,0.009000000000000001 Nb106,1.084,0.021,0.045,0.003 Nb107,0.287,0.011,0.07400000000000001,0.01 Nb108,0.192,0.006,0.063,0.005 Nb109,0.113,0.011,0.31,0.05 -Nb110,0.094,0.009,0.2,0.08 +Nb110,0.075,0.001,0.2,0.08 +Nb110_m1,0.094,0.009,0.2,0.08 Mo109,0.692,0.026,0.013000000000000001,0.006 Mo110,0.287,0.01,0.02,0.006999999999999999 Mo111,0.186,0.009,0.06,0.06 @@ -213,7 +224,8 @@ Tc110,0.911,0.014,0.0004,0.0002 Tc111,0.294,0.02,0.0085,0.002 Tc112,0.305,0.01,0.017,0.004 Tc113,0.152,0.008,0.021,0.003 -Tc114,0.1,0.02,0.006500000000000001,0.004 +Tc114,0.09,0.02,0.006500000000000001,0.004 +Tc114_m1,0.1,0.02,0.006500000000000001,0.004 Tc115,0.078,0.002,0.19,0.05 Tc116,0.057,0.003,0.17,0.07 Ru116,0.203,0.006,0.004,0.004 @@ -222,7 +234,8 @@ Ru118,0.099,0.003,0.023,0.023 Ru119,0.0692,0.002,0.06,0.05 Ru120,0.045,0.002,0.06,0.03 Ru121,0.03,0.003,0.13,0.04 -Rh116,0.57,0.05,0.00525,0.00525 +Rh116,0.69,0.05,0.00525,0.00525 +Rh116_m1,0.57,0.05,0.00525,0.00525 Rh117,0.42,0.04,0.038,0.038 Rh118,0.286,0.01,0.021,0.009000000000000001 Rh119,0.189,0.006,0.034,0.009000000000000001 @@ -239,36 +252,49 @@ Pd125,0.0641,0.0017,0.037000000000000005,0.004 Pd126,0.0488,0.0008,0.049,0.009000000000000001 Pd127,0.038,0.002,0.09,0.03 Pd128,0.036,0.005,0.1,0.07 -Ag120,0.44,0.05,3.1500000000000003e-06,3.1500000000000003e-06 +Ag120,0.94,0.1,5e-06,5e-06 +Ag120_m1,1.52,0.07,5e-06,5e-06 +Ag120_m2,0.44,0.05,3.1500000000000003e-06,3.1500000000000003e-06 Ag121,0.777,0.012,0.0008,0.00013 -Ag122,0.2,0.05,0.0009299999999999999,6e-05 +Ag122,0.529,0.019,0.0009281399999999999,5.988e-05 +Ag122_m1,0.2,0.05,0.0009299999999999999,6e-05 Ag123,0.3,0.008,0.0085,0.0015 -Ag124,0.144,0.02,0.006500000000000001,0.009000000000000001 -Ag125,0.159,0.021,0.046,0.01 -Ag126,0.1026,0.0014,0.038,0.002 +Ag124,0.191,0.028,0.0115,0.011000000000000001 +Ag124_m1,0.144,0.02,0.006500000000000001,0.009000000000000001 +Ag125,0.176,0.003,0.012,0.002 +Ag125_m1,0.159,0.021,0.046,0.01 +Ag126_m1,0.1026,0.0014,0.038,0.002 Ag127,0.0891,0.0009,0.055,0.002 Ag128,0.0659,0.0024,0.09300000000000001,0.005 Ag129,0.052,0.003,0.179,0.013999999999999999 -Cd127,0.36,0.04,0.006,0.006 +Cd127_m1,0.36,0.04,0.006,0.006 Cd128,0.2461,0.0021,0.0095,0.0095 Cd129,0.151,0.004,0.0184,0.0015 Cd130,0.1287,0.0023,0.03,0.002 Cd131,0.083,0.015,0.035,0.01 Cd132,0.084,0.005,0.6,0.15 -In127,3.618,0.032,0.006999999999999999,0.0006 -In128,0.72,0.1,0.00019199999999999998,3.6e-05 -In129,1.165,0.01,0.035393499999999994,0.0061814 -In130,0.535,0.006,0.00975,0.0015 -In131,0.32,0.06,0.11879999999999999,0.0693 +In127,1.087,0.011,0.00015,0.00015 +In127_m1,3.618,0.032,0.006999999999999999,0.0006 +In128,0.84,0.06,0.00019199999999999998,3.6e-05 +In128_m1,0.72,0.1,0.00019199999999999998,3.6e-05 +In129,0.607,0.006,0.0023,0.001 +In129_m1,1.165,0.01,0.035393499999999994,0.0061814 +In130,0.275,0.008,0.012,0.0029 +In130_m1,0.535,0.006,0.00975,0.0015 +In130_m2,0.535,0.006,0.00975,0.0015 +In131,0.266,0.008,0.011049999999999999,0.0027 +In131_m1,0.33,0.015,0.011049999999999999,0.0027 +In131_m2,0.32,0.06,0.11879999999999999,0.0693 In132,0.2013,0.0012,0.12300000000000001,0.004 -In133,0.167,0.011,0.93,0.03 +In133,0.162,0.002,0.9,0.03 +In133_m1,0.167,0.011,0.93,0.03 In134,0.121,0.006,1.07,0.05 Sn133,1.42,0.06,0.000294,2.3999999999999997e-05 Sn134,0.902,0.028,0.17,0.13 Sn135,0.516,0.005,0.21,0.03 Sn136,0.361,0.005,0.27,0.04 Sn137,0.221,0.017,0.5,0.1 -Sb134,9.97,0.1,0.0008799999999999999,3.6e-05 +Sb134_m1,9.97,0.1,0.0008799999999999999,3.6e-05 Sb135,1.668,0.01,0.2,0.028999999999999998 Sb136,0.924,0.014,0.2518,0.07300246571178264 Sb137,0.506,0.025,0.49,0.08 diff --git a/tests/integration/test-data/reference/test4/group_parameters.csv b/tests/integration/test-data/reference/test4/group_parameters.csv index d735fcd7..a2ee2de4 100644 --- a/tests/integration/test-data/reference/test4/group_parameters.csv +++ b/tests/integration/test-data/reference/test4/group_parameters.csv @@ -1,7 +1,7 @@ yield,sigma yield,half_life,sigma half_life -0.0005084852726940352,0.0,55.63931424831434,0.0 -0.002453566328566729,0.0,24.569264138913304,0.0 -0.0013773971276264043,0.0,16.373388763100763,0.0 -0.0023873595098988973,0.0,5.607077852480488,0.0 -0.006027468712831092,0.0,2.5618812848091856,0.0 -0.010846059359074862,0.0,0.9796133076042891,0.0 +0.0005084852570765399,0.0,55.63931448495001,0.0 +0.0024535591084901484,0.0,24.56927233369564,0.0 +0.001377371099639429,0.0,16.373491615853005,0.0 +0.0023955672306150803,0.0,5.604183496795593,0.0 +0.005777660031332877,0.0,2.575728332103662,0.0 +0.010862441234444095,0.0,0.9776276227180541,0.0 diff --git a/tests/integration/test-data/reference/test4/half_life.csv b/tests/integration/test-data/reference/test4/half_life.csv index 7c78015b..787e5dc2 100644 --- a/tests/integration/test-data/reference/test4/half_life.csv +++ b/tests/integration/test-data/reference/test4/half_life.csv @@ -29,7 +29,8 @@ F22,4.23,0.04,0.055,0.055 F23,2.23,0.14,0.07,0.07 F24,0.382,0.016,0.029500000000000002,0.029500000000000002 F25,0.075,0.01,0.195,0.05 -F26,0.0022,0.0001,0.021599999999999998,0.019534584715319648 +F26,0.0082,0.0009,0.135,0.04 +F26_m1,0.0022,0.0001,0.021599999999999998,0.019534584715319648 F27,0.0057,0.0008,0.8,0.2 F29,0.00267,0.00021,0.6,0.4 Ne26,0.195,0.002,0.0013,0.0003 @@ -96,7 +97,7 @@ Ca52,4.6,0.3,0.01,0.01 Ca53,0.461,0.09,0.4,0.1 Sc54,0.526,0.015,0.16,0.09 Sc55,0.096,0.002,0.17,0.07 -Sc56,0.069,0.007,0.24,0.12 +Sc56_m1,0.069,0.007,0.24,0.12 V59,0.092,0.009,0.06,0.03 V61,0.0483,0.001,0.2,0.1 V63,0.0196,0.001,0.67,0.33 @@ -106,10 +107,12 @@ Mn66,0.0639,0.0011,0.05,0.013999999999999999 Mn68,0.0352,0.002,0.15,0.09 Mn69,0.0258,0.0028,0.4,0.2 Mn70,0.0199,0.0017,0.5,0.2 -Co68,1.6,0.3,0.06,0.03 -Co70,0.508,0.007,0.03,0.015 +Co68_m1,1.6,0.3,0.06,0.03 +Co70,0.113,0.007,0.03,0.015 +Co70_m1,0.508,0.007,0.03,0.015 Co71,0.08,0.003,0.188,0.08121576201698781 -Co72,0.0478,0.0005,0.074,0.03059411708155671 +Co72,0.0515,0.0003,0.074,0.03059411708155671 +Co72_m1,0.0478,0.0005,0.074,0.03059411708155671 Co73,0.0407,0.0013,0.26,0.09848857801796104 Co74,0.0314,0.0015,0.22999999999999998,0.1522366578718805 Co75,0.0265,0.0012,0.08,0.08 @@ -132,7 +135,8 @@ Zn82,0.1779,0.0025,0.69,0.07 Zn83,0.0997,0.003,0.71,0.29 Zn84,0.0536,0.0081,0.73,0.26 Ga79,2.852,0.01,0.00084,0.00029 -Ga80,1.3,0.2,0.0045000000000000005,0.0007000000000000001 +Ga80,1.9,0.1,0.0045000000000000005,0.0007000000000000001 +Ga80_m1,1.3,0.2,0.0045000000000000005,0.0007000000000000001 Ga81,1.217,0.004,0.125,0.008 Ga82,0.601,0.002,0.22699999999999998,0.02 Ga83,0.31,0.001,0.67,0.06 @@ -173,7 +177,8 @@ Rb94,2.704,0.015,0.1039,0.0022 Rb95,0.378,0.002,0.08800000000000001,0.004 Rb96,0.2016,0.001,0.141,0.008 Rb97,0.169,0.001,0.249,0.015 -Rb98,0.096,0.003,0.07204,0.009001088823025803 +Rb98,0.115,0.006,0.07204,0.009001088823025803 +Rb98_m1,0.096,0.003,0.07204,0.009001088823025803 Rb99,0.0578,0.0009,0.191,0.023 Rb100,0.051,0.002,0.059,0.012041594578792296 Rb101,0.0315,0.0045,0.28,0.05 @@ -184,11 +189,15 @@ Sr99,0.269,0.002,0.00096,0.00016 Sr100,0.2007,0.0013,0.0111,0.0021 Sr101,0.115,0.001,0.0252,0.0025 Sr102,0.072,0.008,0.055,0.02 -Y97,1.17,0.03,0.0003972,0.0003972 -Y98,2.32,0.08,0.03096,0.009216078341680914 +Y97,3.74,0.05,0.00057594,9.93e-05 +Y97_m1,1.17,0.03,0.0003972,0.0003972 +Y98,0.548,0.002,0.0033,0.0003 +Y98_m1,2.32,0.08,0.03096,0.009216078341680914 Y99,1.478,0.007,0.0197,0.003 -Y100,0.94,0.03,0.0051,0.0006 +Y100,0.732,0.005,0.0051,0.0006 +Y100_m1,0.94,0.03,0.0051,0.0006 Y101,0.432,0.012,0.019799999999999998,0.002 +Y102_m1,0.396,0.036,0.06,0.017 Y102,0.3,0.01,0.04,0.015 Y103,0.236,0.016,0.081,0.02 Y104,0.212,0.02,0.34,0.1 @@ -198,13 +207,15 @@ Zr104,0.92,0.028,0.005,0.005 Zr105,0.666,0.028,0.01,0.01 Zr106,0.175,0.007,0.035,0.035 Zr107,0.15,0.003,0.115,0.115 -Nb104,0.98,0.07,0.0005,0.0003 +Nb104,4.9,0.4,0.0006,0.0003 +Nb104_m1,0.98,0.07,0.0005,0.0003 Nb105,2.91,0.07,0.017,0.009000000000000001 Nb106,1.084,0.021,0.045,0.003 Nb107,0.287,0.011,0.07400000000000001,0.01 Nb108,0.192,0.006,0.063,0.005 Nb109,0.113,0.011,0.31,0.05 -Nb110,0.094,0.009,0.2,0.08 +Nb110,0.075,0.001,0.2,0.08 +Nb110_m1,0.094,0.009,0.2,0.08 Mo109,0.692,0.026,0.013000000000000001,0.006 Mo110,0.287,0.01,0.02,0.006999999999999999 Mo111,0.186,0.009,0.06,0.06 @@ -213,7 +224,8 @@ Tc110,0.911,0.014,0.0004,0.0002 Tc111,0.294,0.02,0.0085,0.002 Tc112,0.305,0.01,0.017,0.004 Tc113,0.152,0.008,0.021,0.003 -Tc114,0.1,0.02,0.006500000000000001,0.004 +Tc114,0.09,0.02,0.006500000000000001,0.004 +Tc114_m1,0.1,0.02,0.006500000000000001,0.004 Tc115,0.078,0.002,0.19,0.05 Tc116,0.057,0.003,0.17,0.07 Ru116,0.203,0.006,0.004,0.004 @@ -222,7 +234,8 @@ Ru118,0.099,0.003,0.023,0.023 Ru119,0.0692,0.002,0.06,0.05 Ru120,0.045,0.002,0.06,0.03 Ru121,0.03,0.003,0.13,0.04 -Rh116,0.57,0.05,0.00525,0.00525 +Rh116,0.69,0.05,0.00525,0.00525 +Rh116_m1,0.57,0.05,0.00525,0.00525 Rh117,0.42,0.04,0.038,0.038 Rh118,0.286,0.01,0.021,0.009000000000000001 Rh119,0.189,0.006,0.034,0.009000000000000001 @@ -239,36 +252,49 @@ Pd125,0.0641,0.0017,0.037000000000000005,0.004 Pd126,0.0488,0.0008,0.049,0.009000000000000001 Pd127,0.038,0.002,0.09,0.03 Pd128,0.036,0.005,0.1,0.07 -Ag120,0.44,0.05,3.1500000000000003e-06,3.1500000000000003e-06 +Ag120,0.94,0.1,5e-06,5e-06 +Ag120_m1,1.52,0.07,5e-06,5e-06 +Ag120_m2,0.44,0.05,3.1500000000000003e-06,3.1500000000000003e-06 Ag121,0.777,0.012,0.0008,0.00013 -Ag122,0.2,0.05,0.0009299999999999999,6e-05 +Ag122,0.529,0.019,0.0009281399999999999,5.988e-05 +Ag122_m1,0.2,0.05,0.0009299999999999999,6e-05 Ag123,0.3,0.008,0.0085,0.0015 -Ag124,0.144,0.02,0.006500000000000001,0.009000000000000001 -Ag125,0.159,0.021,0.046,0.01 -Ag126,0.1026,0.0014,0.038,0.002 +Ag124,0.191,0.028,0.0115,0.011000000000000001 +Ag124_m1,0.144,0.02,0.006500000000000001,0.009000000000000001 +Ag125,0.176,0.003,0.012,0.002 +Ag125_m1,0.159,0.021,0.046,0.01 +Ag126_m1,0.1026,0.0014,0.038,0.002 Ag127,0.0891,0.0009,0.055,0.002 Ag128,0.0659,0.0024,0.09300000000000001,0.005 Ag129,0.052,0.003,0.179,0.013999999999999999 -Cd127,0.36,0.04,0.006,0.006 +Cd127_m1,0.36,0.04,0.006,0.006 Cd128,0.2461,0.0021,0.0095,0.0095 Cd129,0.151,0.004,0.0184,0.0015 Cd130,0.1287,0.0023,0.03,0.002 Cd131,0.083,0.015,0.035,0.01 Cd132,0.084,0.005,0.6,0.15 -In127,3.618,0.032,0.006999999999999999,0.0006 -In128,0.72,0.1,0.00019199999999999998,3.6e-05 -In129,1.165,0.01,0.035393499999999994,0.0061814 -In130,0.535,0.006,0.00975,0.0015 -In131,0.32,0.06,0.11879999999999999,0.0693 +In127,1.087,0.011,0.00015,0.00015 +In127_m1,3.618,0.032,0.006999999999999999,0.0006 +In128,0.84,0.06,0.00019199999999999998,3.6e-05 +In128_m1,0.72,0.1,0.00019199999999999998,3.6e-05 +In129,0.607,0.006,0.0023,0.001 +In129_m1,1.165,0.01,0.035393499999999994,0.0061814 +In130,0.275,0.008,0.012,0.0029 +In130_m1,0.535,0.006,0.00975,0.0015 +In130_m2,0.535,0.006,0.00975,0.0015 +In131,0.266,0.008,0.011049999999999999,0.0027 +In131_m1,0.33,0.015,0.011049999999999999,0.0027 +In131_m2,0.32,0.06,0.11879999999999999,0.0693 In132,0.2013,0.0012,0.12300000000000001,0.004 -In133,0.167,0.011,0.93,0.03 +In133,0.162,0.002,0.9,0.03 +In133_m1,0.167,0.011,0.93,0.03 In134,0.121,0.006,1.07,0.05 Sn133,1.42,0.06,0.000294,2.3999999999999997e-05 Sn134,0.902,0.028,0.17,0.13 Sn135,0.516,0.005,0.21,0.03 Sn136,0.361,0.005,0.27,0.04 Sn137,0.221,0.017,0.5,0.1 -Sb134,9.97,0.1,0.0008799999999999999,3.6e-05 +Sb134_m1,9.97,0.1,0.0008799999999999999,3.6e-05 Sb135,1.668,0.01,0.2,0.028999999999999998 Sb136,0.924,0.014,0.2518,0.07300246571178264 Sb137,0.506,0.025,0.49,0.08 diff --git a/tests/integration/test-data/reference/test5/concentrations.csv b/tests/integration/test-data/reference/test5/concentrations.csv index 9b299bd3..bb94e20a 100644 --- a/tests/integration/test-data/reference/test5/concentrations.csv +++ b/tests/integration/test-data/reference/test5/concentrations.csv @@ -1,206 +1,214 @@ Time,Nuclide,Concentration,sigma Concentration -0,Ru120,6.321956065607958e-12,4.055807566228364e-12 -0,Cs141,1.5149292936627432,0.030243084671351995 -0,Zn84,9.215345558846408e-10,6.060025187057695e-10 -0,Co71,4.1785186194658653e-10,2.6788428230903487e-10 -0,Br93,1.1922242997979442e-05,5.607677951950299e-06 -0,In131,0.00011538213274612227,4.4513428102614914e-05 -0,Sb138,1.1157919796704903e-06,7.145188610770758e-07 -0,Rb98,1.1111349589243446e-05,4.60401868679116e-06 -0,Y105,2.763124101479045e-07,1.7792740465621804e-07 -0,Ni77,1.9930357141235271e-10,1.2766074672988774e-10 +0,Xe147,3.2314501563586603e-09,2.1296804203363497e-09 +0,Mn70,6.387936031743079e-15,3.1367177186332335e-14 +0,Cu81,1.6580134093189317e-11,1.0821765176749329e-11 +0,Kr92,0.04576464673689404,0.00140817874136106 +0,Mo110,2.8201405889307312e-05,1.8075630147105326e-05 +0,Co75,3.983443711434402e-13,2.555777711492282e-13 +0,Ru117,6.478688702697007e-08,4.148333922735342e-08 +0,Se87,0.062451803367402935,0.0037407479198569055 +0,Ag120,5.893501891906941e-05,3.823592124263742e-05 +0,Mn69,1.1506290659448556e-13,7.469142630827825e-14 +0,In130_m2,0.0,7.718418468755954e-13 +0,Zn83,7.587942699270835e-10,4.861648669530365e-10 +0,Sb134_m1,0.05816203636207889,0.037228313980850664 +0,Ag122,4.554342579089505e-06,2.919366103086645e-06 +0,Cd131,1.567338860024903e-05,1.0423246761221736e-05 +0,Rh116,2.037705905921735e-05,1.312465419357817e-05 +0,In132,2.6577870678371435e-05,6.257979479930021e-06 +0,Cs146,6.112782943838794e-05,2.0230510044235075e-05 +0,Sr102,4.966120351552528e-07,2.906831091331771e-07 +0,Sr99,0.0006840018870407429,0.00014091802915365472 +0,Kr94,0.0003645196368625332,7.898348785454662e-05 +0,Tc113,1.1468694994298554e-06,7.364742582422146e-07 +0,In128,0.00021601533440422166,0.00013910803529059815 +0,Sn134,0.00033758172126008317,0.00021630680379158422 +0,Kr95,2.1642104434272682e-05,1.0272138585381986e-05 +0,In129_m1,0.0004612808656908789,0.00010107794611441383 +0,Sb135,0.004583013179731559,0.0004883741237386519 +0,Ga87,1.7190557841372488e-11,1.1254572026525765e-11 +0,Zr103,0.012249494448121324,0.006736348916645337 +0,Ag122_m1,1.6480012211507657e-06,1.1323349785420852e-06 0,Se89,0.00040076866182387334,0.00011468923440760976 +0,Sr101,1.1052274127136074e-05,5.73035111097771e-06 +0,Tc114,9.940684234528315e-08,6.734638461420511e-08 +0,Pd123,4.8987180778214895e-09,3.1379744042959607e-09 +0,Kr99,5.173888915053951e-10,3.651111255149778e-10 +0,As86,0.007312327422157877,0.001248226404037368 +0,Zn80,2.287123077337393e-06,1.4638078053115882e-06 +0,Ge85,2.472367262773268e-05,1.5825949552697886e-05 +0,Tc111,3.1771370825182855e-05,2.0448226309628567e-05 +0,Rb92,0.31046562120638826,0.005415298698972368 +0,Ni76,1.914336482878104e-09,1.2253719418304947e-09 +0,Kr96,4.343509840966059e-05,2.8057050158493928e-05 +0,Tc110,0.00028660053033675804,0.00018347723482393371 +0,Br89,0.07061365229886706,0.003225780945051474 +0,Rh117,6.336373360780286e-06,4.099930185585952e-06 +0,I140,0.0016204718297961255,0.00045796333619904 +0,Sr100,0.00016219761776882394,5.541832406944447e-05 0,Ru116,5.743691422482375e-07,3.679876042689996e-07 -0,Sb137,0.0005296226051203003,0.0003399669488571203 -0,Te137,0.01841686961734059,0.0024003672807921587 -0,Sr97,0.011192718346964479,0.0005137801583767754 -0,Tc115,9.544240702899129e-09,6.113200861999318e-09 -0,Br88,0.41470069266932635,0.015258378692793471 -0,Rh121,5.778561433034068e-10,3.701653668806877e-10 -0,Cu75,1.841674108763976e-06,1.1786780245538553e-06 -0,La147,0.05646805136735979,0.004083902249234997 -0,Ag120,2.7586604600415468e-05,1.7931562214081935e-05 -0,As87,0.00036726542809328237,0.00017067168386323422 -0,Y101,0.0021423491599582094,0.0002490686180773977 -0,Pd121,6.11809252628598e-07,3.915644058359829e-07 -0,Ba148,0.00029964949642038893,0.00015635557535715374 -0,Cd128,1.200596730239502e-05,7.684501989780481e-06 -0,Te138,0.0019087297014339954,0.0008040684073677114 -0,Rb101,1.6599520019262258e-09,1.0885135197405837e-09 -0,Ag121,3.9138522994617927e-05,1.3601679285832257e-05 +0,Y99,0.047229472611507894,0.0036985953470681206 +0,Y105,2.763124101479045e-07,1.7792740465621804e-07 +0,Pd125,9.571390082897755e-12,6.2187422023649836e-12 +0,In128_m1,0.00015007082899185788,9.828080965415342e-05 +0,La150,0.00015365829435237658,9.852577263400666e-05 +0,Nb104,0.033531964280982776,0.02163429837481858 +0,Cs143,0.039438108913487376,0.0018528385390435378 +0,Sb139,4.471576884286194e-08,2.8703357344779696e-08 +0,Br93,1.1922242997979442e-05,5.607677951950299e-06 +0,Ba149,1.6988892186630768e-05,1.0876743125940358e-05 +0,Co72,8.855792578628453e-11,5.667938510279351e-11 +0,Rb97,9.884404390803804e-05,1.4025081005467276e-05 +0,Ge84,0.00045104752694433245,0.0001279529210628389 +0,In131_m1,0.0,4.76089363493358e-13 +0,Ag125,2.2221634526331197e-08,1.4226934977718059e-08 +0,Ga82,5.661368461211863e-05,3.6233255062432184e-05 +0,Rh122,2.34816607056694e-11,1.504336202637936e-11 +0,Tc116,9.876290931054235e-10,6.342152243270843e-10 +0,Sn135,1.1516068067321044e-05,5.95250625340372e-06 +0,Sb136,0.00030568294518464934,0.00019569188025011738 +0,Br90,0.016766239035426535,0.001051942666338339 0,Cd130,0.00015488037773644188,9.91621278521787e-05 -0,In134,4.869767932653489e-08,3.1259928799991265e-08 -0,Kr95,2.1642104434272682e-05,1.0272138585381986e-05 -0,La148,0.007880688724128181,0.0048148686975924134 -0,Ag123,2.076755904622061e-06,1.3302804913781086e-06 +0,Zr105,0.0011597152301053239,0.0007438169969402623 +0,Nb104_m1,0.004844267933525279,0.0031195774792724617 +0,Br92,0.00017956756774146004,0.00011516952272269984 0,Rb95,0.004457915583677064,0.00030997827217864 -0,Cu73,3.628710540188767e-06,2.3259850980443915e-06 -0,Cs150,2.8325501102290097e-10,1.815865564460341e-10 -0,Sn133,0.003380168924740183,0.001527769408816989 0,Te136,0.37145249359884425,0.03684455952244577 -0,Xe141,0.033628303156581864,0.001098400502873031 -0,Nb106,0.0006991074648942952,0.00035928195465386245 -0,Pd126,0.0,7.040351799538143e-14 -0,Cu79,5.187057281392289e-09,3.3203493852175837e-09 +0,Y98,0.015928293744311314,0.0035573158450251524 +0,Ge86,0.0019138843158365434,0.0003605993570088887 +0,Rb94,0.06742443525810204,0.003187590077704834 +0,Rh123,8.024841809363674e-13,5.147283928663602e-13 +0,Y101,0.0021423491599582094,0.0002490686180773977 +0,Cs145,0.0008424761561147824,0.0002012716433636504 +0,As85,0.006653360755611069,0.00425821510283963 +0,Tc115,9.544240702899129e-09,6.113200861999318e-09 +0,Ga81,0.00014968035446120864,3.0328868995195228e-05 +0,In131,9.591139784521415e-05,3.246614676490329e-05 +0,Pd128,6.611138771852354e-16,3.0213578605393026e-15 +0,Cd132,1.1028021485746955e-08,7.088530315552657e-09 +0,Pd121,6.11809252628598e-07,3.915644058359829e-07 +0,Y97_m1,0.0,1.6879531978400872e-12 +0,Ag120_m1,2.149587963116792e-05,1.3792915082334519e-05 +0,In134,4.869767932653489e-08,3.1259928799991265e-08 +0,Rb93,0.30198094592393293,0.005821813919733452 0,Zn82,3.827828645074522e-08,2.450406398753393e-08 -0,Xe147,3.2314501563586603e-09,2.1296804203363497e-09 +0,Nb106,0.0006991074648942952,0.00035928195465386245 +0,Cu76,7.730088290947924e-07,4.94820688699058e-07 +0,Pd127,1.8366220561866707e-21,5.2081292151530687e-14 +0,Xe141,0.033628303156581864,0.001098400502873031 +0,Ga84,1.4500620138828879e-05,9.28822162704711e-06 +0,Cs150,2.8325501102290097e-10,1.815865564460341e-10 +0,Pd124,6.405471384033167e-10,4.10459827748859e-10 +0,Y97,0.2653461881665886,0.058341385823994944 +0,Rh118,1.2216540001157338e-06,7.830249322276764e-07 +0,Rh124,1.317362648019933e-14,8.485799335737544e-15 +0,Ag123,2.076755904622061e-06,1.3302804913781086e-06 +0,Mn66,1.0035518120164117e-11,6.425070793366717e-12 +0,Cd129,6.704820593435391e-09,4.294759460349018e-09 +0,As87,0.00036726542809328237,0.00017067168386323422 +0,Ru120,6.321956065607958e-12,4.055807566228364e-12 +0,La149,0.0017698988890915686,0.0010278005186328588 +0,Co70,1.1612902282163813e-09,7.46696594703663e-10 0,Ga86,2.2319718521399998e-08,1.4313386139684454e-08 -0,Tc113,1.1468694994298554e-06,7.364742582422146e-07 -0,Zr103,0.012249494448121324,0.006736348916645337 -0,Co74,3.714583466847598e-12,2.383938917381913e-12 -0,Sr99,0.0006840018870407429,0.00014091802915365472 -0,Ag122,1.7218686499393215e-06,1.1830880842667757e-06 -0,Tc111,3.1771370825182855e-05,2.0448226309628567e-05 -0,I138,0.14378183654226137,0.00738092441091746 +0,Se91,6.1292580625776354e-06,4.083649600135913e-06 +0,Xe143,0.00026780246606506467,0.00017142265490239716 +0,Cs149,3.81276581239941e-09,2.44952322266523e-09 +0,Te138,0.0019087297014339954,0.0008040684073677114 +0,Sb140,2.2277131946964026e-09,1.4286859167688342e-09 +0,Tc112,8.549686399521445e-06,5.478961418588178e-06 +0,Pd122,7.140415345845826e-08,4.573532453910508e-08 +0,Cs141,1.5149292936627432,0.030243084671351995 +0,Nb108,2.644076146886239e-06,1.6942242392122814e-06 +0,Ag121,3.9138522994617927e-05,1.3601679285832257e-05 +0,Te137,0.01841686961734059,0.0024003672807921587 +0,Kr98,9.703877356272816e-07,6.275780409707926e-07 +0,In130,0.00038133754260743277,0.00012727776011205709 +0,In127,0.0007012338209429614,0.00012542909821947797 +0,Cs142,0.06751075815845875,0.002570603237750841 0,Cu77,3.2883768321162164e-07,2.1046103474122743e-07 -0,Br87,1.613172028625597,0.03500257170613949 -0,Sb136,0.00030568294518464934,0.00019569188025011738 -0,Y100,0.010053745359492567,0.005545365975430271 -0,Sn136,4.469327600809717e-07,2.8610385621492065e-07 -0,Rb94,0.06742443525810204,0.003187590077704834 -0,Br92,0.00017956756774146004,0.00011516952272269984 -0,Nb109,8.739227151016486e-07,5.657429551890969e-07 +0,As84,0.007818287034828862,0.0050050756355145285 +0,Ru119,2.492105711517945e-10,1.5965735342914224e-10 +0,Zr104,0.0017338363448713078,0.0004261530227089933 +0,In127_m1,0.0006027046705470523,0.00017574934844632762 +0,Sb138,1.1157919796704903e-06,7.145188610770758e-07 0,Xe146,1.1968117223384662e-07,6.998197933511106e-08 -0,Ga84,1.4500620138828879e-05,9.28822162704711e-06 -0,Rb102,1.3968121838393133e-10,9.136707632230562e-11 -0,Ru117,6.478688702697007e-08,4.148333922735342e-08 -0,Rb93,0.30198094592393293,0.005821813919733452 +0,Ga80,0.00033265951513173416,8.711255569939079e-05 +0,Xe142,0.008734404596595503,0.0007717214662392944 +0,Mo111,2.924221701893955e-06,1.8768458562140055e-06 +0,Cu80,3.119951022960229e-10,2.004528254841781e-10 0,Cu78,6.869117893047866e-08,4.396440071032322e-08 -0,Zn80,2.287123077337393e-06,1.4638078053115882e-06 -0,Ga79,0.000776637547547752,0.0001091030347801554 -0,Rb96,0.0007447792770115062,0.00013146288975341948 -0,Mo109,0.00023657536119163253,0.00015166918583668084 -0,In132,2.6577870678371435e-05,6.257979479930021e-06 -0,Y102,0.0012168645038974585,0.0007581592424983709 -0,Ga85,7.137762224471928e-09,4.569118997639451e-09 -0,Co68,2.993155938864235e-08,1.9961406983167857e-08 -0,Zr104,0.0017338363448713078,0.0004261530227089933 -0,Sb140,2.2277131946964026e-09,1.4286859167688342e-09 -0,Xe144,6.650431295523878e-05,7.413204019139573e-06 -0,Cs146,6.112782943838794e-05,2.0230510044235075e-05 -0,Cs145,0.0008424761561147824,0.0002012716433636504 -0,Rh116,1.6833222701092596e-05,1.0873991390751045e-05 -0,Ag126,1.3665559995999743e-12,8.747957868181175e-13 -0,Co70,5.220667574636474e-09,3.341990015635059e-09 -0,Sb139,4.471576884286194e-08,2.8703357344779696e-08 -0,Sr100,0.00016219761776882394,5.541832406944447e-05 -0,Pd127,1.8366220561866707e-21,5.2081292151530687e-14 -0,Rb97,9.884404390803804e-05,1.4025081005467276e-05 -0,Tc114,1.1045204705031464e-07,7.406052033789203e-08 -0,Cs144,0.007066471910833082,0.0006504975058304286 -0,Y97,0.08300936902537666,0.018341329943598304 -0,Ba147,0.003557587610769557,0.00072776498354934 -0,Rh117,6.336373360780286e-06,4.099930185585952e-06 -0,Cu76,7.730088290947924e-07,4.94820688699058e-07 -0,I139,0.027862206731330403,0.0027668873242739913 -0,Ru119,2.492105711517945e-10,1.5965735342914224e-10 -0,Nb108,2.644076146886239e-06,1.6942242392122814e-06 -0,Kr96,4.343509840966059e-05,2.8057050158493928e-05 -0,As86,0.007312327422157877,0.001248226404037368 +0,Ba148,0.00029964949642038893,0.00015635557535715374 0,Ru118,6.521136950883246e-09,4.178204491630281e-09 -0,Cu80,3.119951022960229e-10,2.004528254841781e-10 -0,La150,0.00015365829435237658,9.852577263400666e-05 -0,Sn135,1.1516068067321044e-05,5.95250625340372e-06 -0,Se88,0.008725670102436401,0.0016103097989740584 -0,In133,1.2825697946023977e-06,8.251795873235754e-07 -0,Se87,0.062451803367402935,0.0037407479198569055 -0,Cs143,0.039438108913487376,0.0018528385390435378 -0,Co75,3.983443711434402e-13,2.555777711492282e-13 -0,Br91,0.0019750917992539508,0.0003224796187942117 -0,Sr101,1.1052274127136074e-05,5.73035111097771e-06 -0,Tc109,0.0005203764432953729,0.00016049112601211824 -0,Pd125,9.571390082897755e-12,6.2187422023649836e-12 -0,Rb92,0.31046562120638826,0.005415298698972368 -0,Rh120,1.8075694537022572e-08,1.158837951994366e-08 -0,Nb110,2.72365887498078e-08,1.7625407623285278e-08 -0,Br90,0.016766239035426535,0.001051942666338339 -0,Ni76,1.914336482878104e-09,1.2253719418304947e-09 +0,Y103,3.096588292065301e-05,1.9929011791787224e-05 +0,Nb109,8.739227151016486e-07,5.657429551890969e-07 +0,Rb98,1.3310470862114545e-05,5.543196498594369e-06 +0,I139,0.027862206731330403,0.0027668873242739913 +0,Zn84,9.215345558846408e-10,6.060025187057695e-10 +0,Zn81,7.268557156836453e-08,4.7335143212675794e-08 0,Rb99,7.433374824143002e-07,4.758741360333016e-07 -0,Y98,0.06743365234817927,0.015236638135122315 -0,Zn83,7.587942699270835e-10,4.861648669530365e-10 +0,Rb102,1.3968121838393133e-10,9.136707632230562e-11 +0,Sb137,0.0005296226051203003,0.0003399669488571203 +0,Cu79,5.187057281392289e-09,3.3203493852175837e-09 +0,Tc109,0.0005203764432953729,0.00016049112601211824 +0,Br94,5.582562850322886e-07,3.453630888004618e-07 +0,Cs148,2.9493153810400625e-07,1.8877038232218619e-07 +0,I138,0.14378183654226137,0.00738092441091746 +0,Br87,1.613172028625597,0.03500257170613949 +0,Mn68,1.3118638780084598e-12,8.428952643773895e-13 +0,Y100,0.007829086811860168,0.004311403091541925 +0,Rh119,1.5792294141133458e-07,1.0119476469782427e-07 +0,Co73,3.5403084363953135e-11,2.2686182130984923e-11 +0,Ag128,1.4664314181857866e-14,9.400348352416019e-15 +0,Ga85,7.137762224471928e-09,4.569118997639451e-09 +0,Sr97,0.011192718346964479,0.0005137801583767754 +0,Mo109,0.00023657536119163253,0.00015166918583668084 +0,Ag129,8.146975127905937e-17,5.235192892339521e-17 +0,Co74,3.714583466847598e-12,2.383938917381913e-12 +0,Nb110,2.1731320811016862e-08,1.3911070045878708e-08 +0,Nb105,0.014313971012599316,0.004215123848896034 +0,Rh121,5.778561433034068e-10,3.701653668806877e-10 +0,Kr97,6.120277560781505e-08,3.9367684925001434e-08 +0,Rb101,1.6599520019262258e-09,1.0885135197405837e-09 +0,Xe144,6.650431295523878e-05,7.413204019139573e-06 +0,La147,0.05646805136735979,0.004083902249234997 +0,In129,0.0002586471979949641,9.225562787847963e-05 +0,Br88,0.41470069266932635,0.015258378692793471 +0,Y104,4.139597073282549e-06,2.677971741982095e-06 0,Sn137,6.64255242484076e-08,4.281840831088093e-08 0,I137,1.124883996671712,0.036511612596349136 -0,Kr98,9.703877356272816e-07,6.275780409707926e-07 -0,Cd132,1.1028021485746955e-08,7.088530315552657e-09 -0,Pd123,4.8987180778214895e-09,3.1379744042959607e-09 -0,I140,0.0016204718297961255,0.00045796333619904 -0,As84,0.007818287034828862,0.0050050756355145285 -0,Cd129,6.704820593435391e-09,4.294759460349018e-09 -0,Br94,5.582562850322886e-07,3.453630888004618e-07 -0,Sb135,0.004583013179731559,0.0004883741237386519 -0,Rh122,2.34816607056694e-11,1.504336202637936e-11 -0,Rh118,1.2216540001157338e-06,7.830249322276764e-07 -0,Pd124,6.405471384033167e-10,4.10459827748859e-10 +0,Cd128,1.200596730239502e-05,7.684501989780481e-06 +0,Xe145,1.9493607264022407e-06,1.1892804191937006e-06 +0,Cs144,0.007066471910833082,0.0006504975058304286 +0,Ga83,1.6983238957259143e-06,1.0869411087348493e-06 +0,In133,1.2441695013508289e-06,7.964156723252753e-07 +0,Zn79,1.8556571217110535e-05,8.755041494952658e-06 +0,Ag124,1.5865435514166304e-06,1.0416842971397075e-06 +0,Ni77,1.9930357141235271e-10,1.2766074672988774e-10 +0,Cs147,9.42927671179463e-06,6.034877089425987e-06 +0,Sn136,4.469327600809717e-07,2.8610385621492065e-07 +0,Ru121,2.648135217281255e-13,1.7153741900402487e-13 +0,Cu75,1.841674108763976e-06,1.1786780245538553e-06 +0,Rh120,1.8075694537022572e-08,1.158837951994366e-08 +0,Rb96,0.0007447792770115062,0.00013146288975341948 +0,La148,0.007880688724128181,0.0048148686975924134 0,Zr106,9.605570053132736e-08,6.15955680804897e-08 -0,Ba149,1.6988892186630768e-05,1.0876743125940358e-05 +0,Cu73,3.628710540188767e-06,2.3259850980443915e-06 +0,Br91,0.0019750917992539508,0.0003224796187942117 0,Rb100,2.434429436958616e-05,1.5609569662173555e-05 -0,Tc116,9.876290931054235e-10,6.342152243270843e-10 -0,In127,0.002334005486818431,0.00041732380401367995 -0,Nb107,3.912493986932497e-05,2.508481617918656e-05 -0,Ag125,2.0075226645946934e-08,1.311891965347068e-08 -0,Y104,4.139597073282549e-06,2.677971741982095e-06 -0,Pd122,7.140415345845826e-08,4.573532453910508e-08 -0,In129,0.0004964151328898405,0.00017704721098212668 -0,Cs147,9.42927671179463e-06,6.034877089425987e-06 +0,Co71,4.1785186194658653e-10,2.6788428230903487e-10 +0,Sn133,0.003380168924740183,0.001527769408816989 +0,Pd126,0.0,7.040351799538143e-14 0,I141,0.0003122330510313359,0.00010391235434038751 -0,Br89,0.07061365229886706,0.003225780945051474 -0,Ni75,8.551238569868773e-09,5.473421461079408e-09 -0,Ga83,1.6983238957259143e-06,1.0869411087348493e-06 -0,Ag129,8.146975127905937e-17,5.235192892339521e-17 -0,In130,0.0007418748556180965,0.0002468110512361579 -0,Tc110,0.00028660053033675804,0.00018347723482393371 -0,Kr92,0.04576464673689404,0.00140817874136106 -0,Ru121,2.648135217281255e-13,1.7153741900402487e-13 -0,As85,0.006653360755611069,0.00425821510283963 -0,Se91,6.1292580625776354e-06,4.083649600135913e-06 -0,Cs148,2.9493153810400625e-07,1.8877038232218619e-07 -0,Ge85,2.472367262773268e-05,1.5825949552697886e-05 -0,Rh123,8.024841809363674e-13,5.147283928663602e-13 -0,Ag127,2.6941570244741086e-13,1.7244748256361564e-13 -0,Ga87,1.7190557841372488e-11,1.1254572026525765e-11 -0,Nb105,0.014313971012599316,0.004215123848896034 -0,Mn70,6.387936031743079e-15,3.1367177186332335e-14 -0,Tc112,8.549686399521445e-06,5.478961418588178e-06 -0,Ga80,0.00022760914193223916,6.808249119945713e-05 -0,Y99,0.047229472611507894,0.0036985953470681206 -0,Kr94,0.0003645196368625332,7.898348785454662e-05 -0,Kr97,6.120277560781505e-08,3.9367684925001434e-08 -0,Rh124,1.317362648019933e-14,8.485799335737544e-15 -0,Cs142,0.06751075815845875,0.002570603237750841 -0,Ag124,1.1961375466177736e-06,7.83346609221635e-07 -0,Ga82,5.661368461211863e-05,3.6233255062432184e-05 -0,Pd128,6.611138771852354e-16,3.0213578605393026e-15 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+466.6666666666667,1.5232606089447735e-06,7.154222933448151e-08 +472.72727272727275,1.412088282083089e-06,6.639692393224836e-08 +478.7878787878788,1.3090632058261906e-06,6.162440767362948e-08 +484.8484848484849,1.2135830539827166e-06,5.719733313803295e-08 +490.9090909090909,1.125090850881611e-06,5.309040355705959e-08 +496.96969696969694,1.0430714297394213e-06,4.928021295528217e-08 +503.030303030303,9.67048186960448e-07,4.574509959914613e-08 +509.09090909090907,8.965801047964722e-07,4.24650115299402e-08 +515.1515151515151,8.312590177541467e-07,3.942138308466066e-08 +521.2121212121212,7.707071007327035e-07,3.6597021421234835e-08 +527.2727272727273,7.145745591531545e-07,3.397600216400715e-08 +533.3333333333334,6.625375033458384e-07,3.154357337335442e-08 +539.3939393939394,6.142959912328441e-07,2.928606712127371e-08 +545.4545454545455,5.695722249069688e-07,2.719081802405227e-08 +551.5151515151515,5.281088880963481e-07,2.5246088144781702e-08 557.5757575757576,4.896676127367004e-07,2.3440997733463865e-08 -563.6363636363636,4.5402756397112417e-07,2.1765461321594076e-08 -569.6969696969697,4.2098413387735e-07,2.0210128732097215e-08 +563.6363636363636,4.540275639711241e-07,2.1765461321594072e-08 +569.6969696969697,4.2098413387735e-07,2.0210128732097212e-08 575.7575757575758,3.9034773509909644e-07,1.876633060495577e-08 581.8181818181818,3.619426863440573e-07,1.7426028074325982e-08 -587.8787878787879,3.3560618241714127e-07,1.6181766264861343e-08 -593.9393939393939,3.111873420931026e-07,1.5026631303744378e-08 +587.8787878787879,3.356061824171413e-07,1.6181766264861343e-08 +593.9393939393939,3.111873420931026e-07,1.5026631303744375e-08 600.0,2.8854632770590936e-07,1.3954210570925084e-08 diff --git a/tests/integration/test-data/reference/test5/emission_probability.csv b/tests/integration/test-data/reference/test5/emission_probability.csv index 7c78015b..787e5dc2 100644 --- a/tests/integration/test-data/reference/test5/emission_probability.csv +++ b/tests/integration/test-data/reference/test5/emission_probability.csv @@ -29,7 +29,8 @@ F22,4.23,0.04,0.055,0.055 F23,2.23,0.14,0.07,0.07 F24,0.382,0.016,0.029500000000000002,0.029500000000000002 F25,0.075,0.01,0.195,0.05 -F26,0.0022,0.0001,0.021599999999999998,0.019534584715319648 +F26,0.0082,0.0009,0.135,0.04 +F26_m1,0.0022,0.0001,0.021599999999999998,0.019534584715319648 F27,0.0057,0.0008,0.8,0.2 F29,0.00267,0.00021,0.6,0.4 Ne26,0.195,0.002,0.0013,0.0003 @@ -96,7 +97,7 @@ Ca52,4.6,0.3,0.01,0.01 Ca53,0.461,0.09,0.4,0.1 Sc54,0.526,0.015,0.16,0.09 Sc55,0.096,0.002,0.17,0.07 -Sc56,0.069,0.007,0.24,0.12 +Sc56_m1,0.069,0.007,0.24,0.12 V59,0.092,0.009,0.06,0.03 V61,0.0483,0.001,0.2,0.1 V63,0.0196,0.001,0.67,0.33 @@ -106,10 +107,12 @@ Mn66,0.0639,0.0011,0.05,0.013999999999999999 Mn68,0.0352,0.002,0.15,0.09 Mn69,0.0258,0.0028,0.4,0.2 Mn70,0.0199,0.0017,0.5,0.2 -Co68,1.6,0.3,0.06,0.03 -Co70,0.508,0.007,0.03,0.015 +Co68_m1,1.6,0.3,0.06,0.03 +Co70,0.113,0.007,0.03,0.015 +Co70_m1,0.508,0.007,0.03,0.015 Co71,0.08,0.003,0.188,0.08121576201698781 -Co72,0.0478,0.0005,0.074,0.03059411708155671 +Co72,0.0515,0.0003,0.074,0.03059411708155671 +Co72_m1,0.0478,0.0005,0.074,0.03059411708155671 Co73,0.0407,0.0013,0.26,0.09848857801796104 Co74,0.0314,0.0015,0.22999999999999998,0.1522366578718805 Co75,0.0265,0.0012,0.08,0.08 @@ -132,7 +135,8 @@ Zn82,0.1779,0.0025,0.69,0.07 Zn83,0.0997,0.003,0.71,0.29 Zn84,0.0536,0.0081,0.73,0.26 Ga79,2.852,0.01,0.00084,0.00029 -Ga80,1.3,0.2,0.0045000000000000005,0.0007000000000000001 +Ga80,1.9,0.1,0.0045000000000000005,0.0007000000000000001 +Ga80_m1,1.3,0.2,0.0045000000000000005,0.0007000000000000001 Ga81,1.217,0.004,0.125,0.008 Ga82,0.601,0.002,0.22699999999999998,0.02 Ga83,0.31,0.001,0.67,0.06 @@ -173,7 +177,8 @@ Rb94,2.704,0.015,0.1039,0.0022 Rb95,0.378,0.002,0.08800000000000001,0.004 Rb96,0.2016,0.001,0.141,0.008 Rb97,0.169,0.001,0.249,0.015 -Rb98,0.096,0.003,0.07204,0.009001088823025803 +Rb98,0.115,0.006,0.07204,0.009001088823025803 +Rb98_m1,0.096,0.003,0.07204,0.009001088823025803 Rb99,0.0578,0.0009,0.191,0.023 Rb100,0.051,0.002,0.059,0.012041594578792296 Rb101,0.0315,0.0045,0.28,0.05 @@ -184,11 +189,15 @@ Sr99,0.269,0.002,0.00096,0.00016 Sr100,0.2007,0.0013,0.0111,0.0021 Sr101,0.115,0.001,0.0252,0.0025 Sr102,0.072,0.008,0.055,0.02 -Y97,1.17,0.03,0.0003972,0.0003972 -Y98,2.32,0.08,0.03096,0.009216078341680914 +Y97,3.74,0.05,0.00057594,9.93e-05 +Y97_m1,1.17,0.03,0.0003972,0.0003972 +Y98,0.548,0.002,0.0033,0.0003 +Y98_m1,2.32,0.08,0.03096,0.009216078341680914 Y99,1.478,0.007,0.0197,0.003 -Y100,0.94,0.03,0.0051,0.0006 +Y100,0.732,0.005,0.0051,0.0006 +Y100_m1,0.94,0.03,0.0051,0.0006 Y101,0.432,0.012,0.019799999999999998,0.002 +Y102_m1,0.396,0.036,0.06,0.017 Y102,0.3,0.01,0.04,0.015 Y103,0.236,0.016,0.081,0.02 Y104,0.212,0.02,0.34,0.1 @@ -198,13 +207,15 @@ Zr104,0.92,0.028,0.005,0.005 Zr105,0.666,0.028,0.01,0.01 Zr106,0.175,0.007,0.035,0.035 Zr107,0.15,0.003,0.115,0.115 -Nb104,0.98,0.07,0.0005,0.0003 +Nb104,4.9,0.4,0.0006,0.0003 +Nb104_m1,0.98,0.07,0.0005,0.0003 Nb105,2.91,0.07,0.017,0.009000000000000001 Nb106,1.084,0.021,0.045,0.003 Nb107,0.287,0.011,0.07400000000000001,0.01 Nb108,0.192,0.006,0.063,0.005 Nb109,0.113,0.011,0.31,0.05 -Nb110,0.094,0.009,0.2,0.08 +Nb110,0.075,0.001,0.2,0.08 +Nb110_m1,0.094,0.009,0.2,0.08 Mo109,0.692,0.026,0.013000000000000001,0.006 Mo110,0.287,0.01,0.02,0.006999999999999999 Mo111,0.186,0.009,0.06,0.06 @@ -213,7 +224,8 @@ Tc110,0.911,0.014,0.0004,0.0002 Tc111,0.294,0.02,0.0085,0.002 Tc112,0.305,0.01,0.017,0.004 Tc113,0.152,0.008,0.021,0.003 -Tc114,0.1,0.02,0.006500000000000001,0.004 +Tc114,0.09,0.02,0.006500000000000001,0.004 +Tc114_m1,0.1,0.02,0.006500000000000001,0.004 Tc115,0.078,0.002,0.19,0.05 Tc116,0.057,0.003,0.17,0.07 Ru116,0.203,0.006,0.004,0.004 @@ -222,7 +234,8 @@ Ru118,0.099,0.003,0.023,0.023 Ru119,0.0692,0.002,0.06,0.05 Ru120,0.045,0.002,0.06,0.03 Ru121,0.03,0.003,0.13,0.04 -Rh116,0.57,0.05,0.00525,0.00525 +Rh116,0.69,0.05,0.00525,0.00525 +Rh116_m1,0.57,0.05,0.00525,0.00525 Rh117,0.42,0.04,0.038,0.038 Rh118,0.286,0.01,0.021,0.009000000000000001 Rh119,0.189,0.006,0.034,0.009000000000000001 @@ -239,36 +252,49 @@ Pd125,0.0641,0.0017,0.037000000000000005,0.004 Pd126,0.0488,0.0008,0.049,0.009000000000000001 Pd127,0.038,0.002,0.09,0.03 Pd128,0.036,0.005,0.1,0.07 -Ag120,0.44,0.05,3.1500000000000003e-06,3.1500000000000003e-06 +Ag120,0.94,0.1,5e-06,5e-06 +Ag120_m1,1.52,0.07,5e-06,5e-06 +Ag120_m2,0.44,0.05,3.1500000000000003e-06,3.1500000000000003e-06 Ag121,0.777,0.012,0.0008,0.00013 -Ag122,0.2,0.05,0.0009299999999999999,6e-05 +Ag122,0.529,0.019,0.0009281399999999999,5.988e-05 +Ag122_m1,0.2,0.05,0.0009299999999999999,6e-05 Ag123,0.3,0.008,0.0085,0.0015 -Ag124,0.144,0.02,0.006500000000000001,0.009000000000000001 -Ag125,0.159,0.021,0.046,0.01 -Ag126,0.1026,0.0014,0.038,0.002 +Ag124,0.191,0.028,0.0115,0.011000000000000001 +Ag124_m1,0.144,0.02,0.006500000000000001,0.009000000000000001 +Ag125,0.176,0.003,0.012,0.002 +Ag125_m1,0.159,0.021,0.046,0.01 +Ag126_m1,0.1026,0.0014,0.038,0.002 Ag127,0.0891,0.0009,0.055,0.002 Ag128,0.0659,0.0024,0.09300000000000001,0.005 Ag129,0.052,0.003,0.179,0.013999999999999999 -Cd127,0.36,0.04,0.006,0.006 +Cd127_m1,0.36,0.04,0.006,0.006 Cd128,0.2461,0.0021,0.0095,0.0095 Cd129,0.151,0.004,0.0184,0.0015 Cd130,0.1287,0.0023,0.03,0.002 Cd131,0.083,0.015,0.035,0.01 Cd132,0.084,0.005,0.6,0.15 -In127,3.618,0.032,0.006999999999999999,0.0006 -In128,0.72,0.1,0.00019199999999999998,3.6e-05 -In129,1.165,0.01,0.035393499999999994,0.0061814 -In130,0.535,0.006,0.00975,0.0015 -In131,0.32,0.06,0.11879999999999999,0.0693 +In127,1.087,0.011,0.00015,0.00015 +In127_m1,3.618,0.032,0.006999999999999999,0.0006 +In128,0.84,0.06,0.00019199999999999998,3.6e-05 +In128_m1,0.72,0.1,0.00019199999999999998,3.6e-05 +In129,0.607,0.006,0.0023,0.001 +In129_m1,1.165,0.01,0.035393499999999994,0.0061814 +In130,0.275,0.008,0.012,0.0029 +In130_m1,0.535,0.006,0.00975,0.0015 +In130_m2,0.535,0.006,0.00975,0.0015 +In131,0.266,0.008,0.011049999999999999,0.0027 +In131_m1,0.33,0.015,0.011049999999999999,0.0027 +In131_m2,0.32,0.06,0.11879999999999999,0.0693 In132,0.2013,0.0012,0.12300000000000001,0.004 -In133,0.167,0.011,0.93,0.03 +In133,0.162,0.002,0.9,0.03 +In133_m1,0.167,0.011,0.93,0.03 In134,0.121,0.006,1.07,0.05 Sn133,1.42,0.06,0.000294,2.3999999999999997e-05 Sn134,0.902,0.028,0.17,0.13 Sn135,0.516,0.005,0.21,0.03 Sn136,0.361,0.005,0.27,0.04 Sn137,0.221,0.017,0.5,0.1 -Sb134,9.97,0.1,0.0008799999999999999,3.6e-05 +Sb134_m1,9.97,0.1,0.0008799999999999999,3.6e-05 Sb135,1.668,0.01,0.2,0.028999999999999998 Sb136,0.924,0.014,0.2518,0.07300246571178264 Sb137,0.506,0.025,0.49,0.08 diff --git a/tests/integration/test-data/reference/test5/fission_yield.csv b/tests/integration/test-data/reference/test5/fission_yield.csv index 637e45d6..e793c12e 100644 --- a/tests/integration/test-data/reference/test5/fission_yield.csv +++ b/tests/integration/test-data/reference/test5/fission_yield.csv @@ -1,16 +1,16 @@ Nuclide,CFY,sigma CFY V66,7.094747804e-16,4.54063659e-16 Cr66,8.778983850000001e-13,5.61856755e-13 -Cr67,3.37002e-13,2.156815e-13 -Cr68,2.2400150000000003e-14,1.43361e-14 +Cr67,3.37002e-13,1.1656815e-12 +Cr68,2.2400150000000003e-14,9.643361e-13 Cr69,3.4480727805e-15,2.206766778e-15 -Cr70,0.0,0.0 +Cr70,0.0,1e-12 Mn66,1.088590155e-10,6.96699465e-11 Mn67,1.3911163900000002e-10,8.9031312e-11 Mn68,2.5832805350000002e-11,1.65329995e-11 Mn69,3.0912995850000002e-12,1.97842898e-12 -Mn70,2.2250150000000002e-13,1.42401e-13 -Mn71,1.1100050000000002e-14,7.104050000000001e-15 +Mn70,2.2250150000000002e-13,1.092401e-12 +Mn71,1.1100050000000002e-14,9.5710405e-13 Mn72,1.0302374550000001e-16,6.59353975e-17 Mn73,2.017736745e-17,1.29135217e-17 Fe66,1.5538343500000001e-09,9.944528499999999e-10 @@ -21,9 +21,9 @@ Fe70,2.0577881500000003e-10,1.3169827500000001e-10 Fe71,2.95738175e-11,1.8927251e-11 Fe72,3.25921655e-12,2.0858996e-12 Fe73,5.31629295e-13,3.40242825e-13 -Fe74,2.215015e-14,1.41761e-14 +Fe74,2.215015e-14,9.641761e-13 Fe75,4.4827265e-16,2.8689453000000004e-16 -Fe76,0.0,0.0 +Fe76,0.0,1e-12 Co66,2.4457653499999997e-09,1.10059505e-09 Co67,1.2314869500000001e-08,7.881536000000002e-09 Co68,1.296686e-08,8.2988065e-09 @@ -51,7 +51,7 @@ Ni76,5.6536724999999995e-09,3.6183464999999997e-09 Ni77,8.707639999999999e-10,5.572888e-10 Ni78,1.2628208000000001e-10,8.0820715e-11 Ni80,2.82820455e-13,1.810051255e-13 -Ni82,0.0,0.0 +Ni82,0.0,1e-12 Cu66,2.54086155e-09,8.130778e-10 Cu67,1.4179303000000001e-08,4.537384e-09 Cu68,2.0763625000000003e-08,9.343631499999999e-09 @@ -67,9 +67,9 @@ Cu75,1.0429339999999999e-06,6.674766e-07 Cu76,8.411442549999999e-07,5.383320999999999e-07 Cu77,4.851701e-07,3.1050925e-07 Cu78,1.4354265e-07,9.1867495e-08 -Cu79,1.49001e-08,9.536050000000001e-09 +Cu79,1.49001e-08,9.537000000000001e-09 Cu80,1.90872485e-09,1.2215822000000001e-09 -Cu81,1.57001e-10,1.004805e-10 +Cu81,1.57001e-10,1.014305e-10 Cu82,1.3856004999999999e-11,8.86782635e-12 Cu83,1.97933135e-13,1.2667698450000002e-13 Zn66,2.54086155e-09,8.130778e-10 @@ -89,15 +89,15 @@ Zn77,3.117782e-05,1.9953874999999997e-05 Zn78,3.5637134999999994e-05,1.6353559999999996e-05 Zn79,1.724187e-05,8.076636e-06 Zn80,2.8213435e-06,1.8056575e-06 -Zn81,1.68501e-07,1.078405e-07 +Zn81,1.68501e-07,1.0784145000000001e-07 Zn82,1.4914270000000002e-07,9.5451545e-08 Zn83,5.27538725e-09,3.3762484499999997e-09 Zn84,1.1917146999999999e-08,7.626998999999999e-09 Zn85,2.6531493500000003e-12,1.69801867e-12 Zn86,2.349349e-12,1.5035859999999998e-12 -Ga66,0.0,0.0 -Ga67,0.0,0.0 -Ga68,0.0,0.0 +Ga66,0.0,1e-12 +Ga67,0.0,1e-12 +Ga68,0.0,1e-12 Ga69,3.2814055e-08,1.0500508000000001e-08 Ga70,1.5974064999999998e-13,1.0223383e-13 Ga71,1.04354545e-07,3.3393445e-08 @@ -120,13 +120,13 @@ Ga85,5.3835905999999996e-08,3.44549835e-08 Ga86,3.1444817e-07,2.0124655999999997e-07 Ga87,4.108823e-10,2.6296485e-10 Ga88,4.984829000000001e-12,3.1902945e-12 -Ge66,0.0,0.0 -Ge67,0.0,0.0 -Ge68,0.0,0.0 -Ge69,0.0,0.0 +Ge66,0.0,1e-12 +Ge67,0.0,1e-12 +Ge68,0.0,1e-12 +Ge69,0.0,1e-12 Ge70,1.5974064999999998e-13,1.0223383e-13 -Ge71,0.0,0.0 -Ge71_m1,0.0,0.0 +Ge71,0.0,1e-12 +Ge71_m1,0.0,1e-12 Ge72,2.8198214999999995e-07,3.7370555e-08 Ge73,1.071934e-06,2.46544e-07 Ge73_m1,1.071934e-06,3.3374829999999996e-07 @@ -151,10 +151,10 @@ Ge88,5.14715e-07,3.294173e-07 Ge89,2.0191844500000002e-09,1.2922770100000001e-09 Ge90,3.5967790000000006e-12,2.3019369999999997e-12 Ge91,4.9772373e-13,3.1854305e-13 -As69,0.0,0.0 -As71,0.0,0.0 -As72,0.0,0.0 -As73,0.0,0.0 +As69,0.0,1e-12 +As71,0.0,1e-12 +As72,0.0,1e-12 +As73,0.0,1e-12 As74,1.5873860499999998e-13,1.0159240499999999e-13 As74_m1,1.1095740500000001e-13,7.101266299999999e-14 As75,1.03667415e-05,1.1888595e-06 @@ -178,11 +178,11 @@ As90,7.5271585e-08,4.8173719999999995e-08 As91,1.0679494e-08,6.834869000000001e-09 As92,8.246402580000001e-10,5.277719655000001e-10 As93,1.43946465e-12,9.212579e-13 -Se72,0.0,0.0 -Se73,0.0,0.0 -Se73_m1,0.0,0.0 -Se74,5.167639e-14,2.3254384999999998e-14 -Se75,0.0,0.0 +Se72,0.0,1e-12 +Se73,0.0,1e-12 +Se73_m1,0.0,1e-12 +Se74,5.167639e-14,7.3254385e-14 +Se75,0.0,1e-12 Se76,1.57018602e-09,1.00492551e-09 Se77,7.727469e-05,6.231488499999999e-06 Se77_m1,2.3198388e-07,3.711744e-08 @@ -209,10 +209,10 @@ Se93,5.196585500000001e-08,3.325818e-08 Se94,3.3674586e-09,2.1551753999999998e-09 Se95,3.58530125e-12,2.2945905999999998e-12 Se96,1.35660145e-12,8.6822349e-13 -Br75,0.0,0.0 -Br77,0.0,0.0 -Br77_m1,0.0,0.0 -Br78,4.6926675e-14,3.003311e-14 +Br75,0.0,1e-12 +Br77,0.0,1e-12 +Br77_m1,0.0,1e-12 +Br78,4.6926675e-14,8.003311e-14 Br79,0.0004412602,2.9252855e-05 Br79_m1,9.90488515e-12,6.339105599999999e-12 Br80,1.4077800100000001e-09,9.009763599999999e-10 @@ -238,10 +238,10 @@ Br95,8.087413e-08,5.1759465e-08 Br96,3.5743865000000006e-08,2.2875995e-08 Br97,3.6378995050000005e-10,2.3282557250000004e-10 Br98,1.3688154499999998e-10,8.7604265e-11 -Kr77,0.0,0.0 -Kr78,0.0,0.0 -Kr79_m1,0.0,0.0 -Kr79,0.0,0.0 +Kr77,0.0,1e-12 +Kr78,0.0,1e-12 +Kr79_m1,0.0,1e-12 +Kr79,0.0,1e-12 Kr80,1.4077800100000001e-09,9.009763599999999e-10 Kr81,1.026554005e-11,6.5699665250000005e-12 Kr81_m1,1.340160005e-12,8.577024029999999e-13 @@ -267,8 +267,8 @@ Kr98,1.5642360999999998e-05,1.0011175499999998e-05 Kr99,9.692612200000002e-09,6.203263789000001e-09 Kr100,1.1107240999999999e-08,7.1086269999999995e-09 Kr101,1.5130150500000003e-12,9.683264500000001e-13 -Rb79,0.0,0.0 -Rb81,0.0,0.0 +Rb79,0.0,1e-12 +Rb81,0.0,1e-12 Rb83,2.18660801e-12,1.3994314049999999e-12 Rb84,2.0804576999999998e-11,1.3314891e-11 Rb85,0.012898418,4.75593e-05 @@ -292,10 +292,10 @@ Rb100,0.00033086625500000004,0.0002117544025 Rb101,3.6526700000000004e-08,2.3377085000000002e-08 Rb102,2.6167471e-09,1.6747185725000002e-09 Rb103,3.3262716500000003e-12,2.1288145500000003e-12 -Sr83,0.0,0.0 +Sr83,0.0,1e-12 Sr84,6.279563499999999e-13,4.0189249999999995e-13 -Sr85_m1,3.7284839999999996e-13,2.3862289999999995e-13 -Sr85,6.9834595e-13,4.4694079999999997e-13 +Sr85_m1,3.7284839999999996e-13,2.8862289999999994e-13 +Sr85,6.9834595e-13,4.969408e-13 Sr86,6.286064e-08,4.0230849999999997e-08 Sr87,0.0251339,0.0001297333 Sr87_m1,2.3856940099999997e-09,1.526849105e-09 @@ -316,12 +316,12 @@ Sr101,6.661611e-05,3.453407e-05 Sr102,4.780906e-06,2.7475377500000003e-06 Sr103,9.543153500000001e-08,6.107614e-08 Sr104,1.13444645e-08,7.26047395e-09 -Sr105,2.0749450000000002e-09,1.327965e-09 -Sr106,0.0,0.0 -Sr107,0.0,0.0 -Sr108,0.0,0.0 -Y85,0.0,0.0 -Y87,9.4993255e-14,6.0795725e-14 +Sr105,2.0749450000000002e-09,1.328915e-09 +Sr106,0.0,1e-12 +Sr107,0.0,1e-12 +Sr108,0.0,1e-12 +Y85,0.0,1e-12 +Y87,9.4993255e-14,1.10795725e-13 Y88,1.6159310050000003e-11,1.034192805e-11 Y89,0.046341565,0.00046893775 Y89_m1,4.6311875e-06,4.686387499999999e-08 @@ -336,7 +336,7 @@ Y94,0.06360567,0.000705207 Y95,0.06313677499999999,0.003705975 Y96,0.05999511,0.009359267 Y96_m1,0.019553943,0.008799284 -Y97_m1,0.0,0.0 +Y97_m1,0.0,1e-12 Y97,0.04917752999999999,0.010792605 Y98,0.020147175,0.004498931 Y98_m1,0.01126865,0.0035378399999999996 @@ -351,10 +351,10 @@ Y106,1.4937951545e-14,9.560272985e-15 Y107,4.366354145e-16,2.7944668300000005e-16 Y108,1.8024578267500003e-17,1.1535736085500001e-17 Y109,4.2357241770000005e-14,2.7108680335e-14 -Y110,7.508325e-16,4.805327999999999e-16 -Zr87,0.0,0.0 -Zr88,0.0,0.0 -Zr89,1.9663575000000002e-14,1.2584745e-14 +Y110,7.508325e-16,5.04805328e-14 +Zr87,0.0,1e-12 +Zr88,0.0,1e-12 +Zr89,1.9663575000000002e-14,6.2584745e-14 Zr90_m1,1.990982505e-12,1.274234505e-12 Zr90,0.056551905,0.036193205 Zr91,0.05738412999999999,0.00042794544999999993 @@ -379,10 +379,10 @@ Zr109,3.762118999999999e-09,2.4077564999999997e-09 Zr110,8.832823049999999e-11,5.6530090499999995e-11 Zr111,1.7008046016500002e-10,1.0885127455500001e-10 Zr112,5.3204384399999996e-14,3.405072575e-14 -Nb89,0.0,0.0 -Nb90,0.0,0.0 -Nb91,0.0,0.0 -Nb92,2.1563479999999998e-13,1.3800649999999998e-13 +Nb89,0.0,1e-12 +Nb90,0.0,1e-12 +Nb91,0.0,1e-12 +Nb92,2.1563479999999998e-13,1.8800649999999997e-13 Nb93,0.062746405,0.00047116195 Nb93_m1,0.059609125,0.00044760384999999994 Nb94,2.34819351e-09,1.50284271e-09 @@ -414,11 +414,11 @@ Nb111,1.4954872230000002e-07,9.571104155e-08 Nb112,9.536033250000001e-10,6.103062900000001e-10 Nb113,7.562225082000001e-11,4.8398340502000004e-11 Nb114,3.4264656154000002e-12,2.1929375933999998e-12 -Mo90,0.0,0.0 -Mo91,0.0,0.0 -Mo92,0.0,0.0 -Mo93_m1,0.0,0.0 -Mo93,0.0,0.0 +Mo90,0.0,1e-12 +Mo91,0.0,1e-12 +Mo92,0.0,1e-12 +Mo93_m1,0.0,1e-12 +Mo93,0.0,1e-12 Mo94,2.34819851e-09,1.50284591e-09 Mo95,0.06434751,0.0004581434 Mo96,5.17283905e-06,3.31061052e-06 @@ -441,13 +441,13 @@ Mo112,1.21267354e-06,7.761128200000001e-07 Mo113,8.51576135e-08,5.450101150000001e-08 Mo114,4.171822055e-09,2.6699651e-09 Mo115,9.598399894500001e-11,6.142989934e-11 -Mo116,6.10005e-12,3.904025e-12 +Mo116,6.10005e-12,4.854025e-12 Mo117,1.2900862800000001e-14,8.25654185e-15 -Tc93,0.0,0.0 -Tc95,0.0,0.0 -Tc95_m1,0.0,0.0 -Tc97_m1,8.359410999999999e-14,5.35002e-14 -Tc97,1.671886e-13,1.070004e-13 +Tc93,0.0,1e-12 +Tc95,0.0,1e-12 +Tc95_m1,0.0,1e-12 +Tc97_m1,8.359410999999999e-14,1.035002e-13 +Tc97,1.671886e-13,1.5700040000000002e-13 Tc98,8.444912950049998e-09,5.404747328049999e-09 Tc99,0.061117059999999994,0.0006235070999999998 Tc99_m1,0.053783085,0.0007529626 @@ -472,9 +472,9 @@ Tc116,1.2010040725000001e-08,7.686412045e-09 Tc117,2.5249895550000003e-10,1.6159907e-10 Tc118,3.7336092859e-11,2.3895079429e-11 Tc119,1.0179450477500001e-13,6.514858307500001e-14 -Ru95,0.0,0.0 -Ru96,0.0,0.0 -Ru97,0.0,0.0 +Ru95,0.0,1e-12 +Ru96,0.0,1e-12 +Ru97,0.0,1e-12 Ru98,8.444912950049998e-09,3.800216328049999e-09 Ru99,0.061117059999999994,0.0006235070999999998 Ru100,5.3179200499999995e-08,3.40347453e-08 @@ -500,13 +500,13 @@ Ru118,4.565765345e-08,2.922090655e-08 Ru119,2.4962370630000002e-09,1.597592115e-09 Ru120,9.737880050000002e-11,6.2322607e-11 Ru121,6.118491532e-12,3.915843582e-12 -Ru122,3.15002e-14,2.016015e-14 -Ru124,0.0,0.0 -Rh99,0.0,0.0 -Rh101,3.0967814999999994e-13,1.393555e-13 -Rh101_m1,0.0,0.0 -Rh102,5.614101e-12,3.5930234999999996e-12 -Rh102_m1,4.4931865e-12,2.8756404999999995e-12 +Ru122,3.15002e-14,9.7016015e-13 +Ru124,0.0,1e-12 +Rh99,0.0,1e-12 +Rh101,3.0967814999999994e-13,1.893555e-13 +Rh101_m1,0.0,1e-12 +Rh102,5.614101e-12,3.6430234999999996e-12 +Rh102_m1,4.4931865e-12,2.9256404999999995e-12 Rh103,0.031931495,0.00033186559999999997 Rh103_m1,0.03161227,0.00044257154999999997 Rh104,1.856092025e-10,1.1878985149999998e-10 @@ -514,10 +514,10 @@ Rh104_m1,1.39931502e-10,8.955597099999999e-11 Rh105,0.011185164999999999,0.00022370325 Rh105_m1,0.0030200030000000003,0.0002131599 Rh106,0.005059576,7.0834015e-05 -Rh106_m1,0.0,0.0 +Rh106_m1,0.0,1e-12 Rh107,0.002111764,0.00016285224999999998 Rh108,0.0008149014,0.000100014845 -Rh108_m1,9.05005e-16,5.79205e-16 +Rh108_m1,9.05005e-16,9.50579205e-13 Rh109,0.00042266004999999996,0.00027050215 Rh109_m1,0.00020724165,0.00013263494499999998 Rh110,0.00031154939999999997,4.18153e-05 @@ -536,18 +536,18 @@ Rh121,5.486840500000001e-09,3.511565825e-09 Rh122,3.1120931000000003e-10,1.991741765e-10 Rh123,1.31810343e-11,8.435847895e-12 Rh124,2.89881335e-13,1.855237535e-13 -Pd99,0.0,0.0 -Pd101,0.0,0.0 -Pd102,8.986363499999999e-13,4.0438649999999996e-13 -Pd103,0.0,0.0 +Pd99,0.0,1e-12 +Pd101,0.0,1e-12 +Pd102,8.986363499999999e-13,4.5438649999999994e-13 +Pd103,0.0,1e-12 Pd104,1.856082025e-10,1.18718626e-10 Pd105,0.011185164999999999,0.00015659190000000001 Pd106,0.005059576,5.557521e-05 Pd107,0.002111764,9.672201500000001e-05 -Pd107_m1,0.0,0.0 +Pd107_m1,0.0,1e-12 Pd108,0.0008149014,6.8681495e-05 Pd109,0.00042266004999999996,0.00027050215 -Pd109_m1,5.1866295e-12,3.3194424999999997e-12 +Pd109_m1,5.1866295e-12,3.3694424999999997e-12 Pd110,0.0003120909,2.0929285000000002e-05 Pd111,0.00020093735,4.6215554999999995e-05 Pd111_m1,9.100977999999999e-07,2.912312e-07 @@ -564,25 +564,25 @@ Pd121,1.46232365e-06,9.358890500000001e-07 Pd122,2.5381327e-07,1.6244051000000001e-07 Pd123,3.0590384e-08,1.9577849e-08 Pd124,4.7233345e-09,3.022936e-09 -Pd125,1.0350050000000001e-10,6.624050000000001e-11 -Pd126,0.0,0.0 -Pd127,3.3501300000000004e-20,2.1440850000000002e-20 -Pd128,1.2729144999999999e-14,8.1466205e-15 -Pd129,0.0,0.0 -Pd130,6.450044e-13,4.1280255e-13 -Ag103,0.0,0.0 -Ag105,0.0,0.0 -Ag105_m1,0.0,0.0 -Ag106,0.0,0.0 -Ag106_m1,0.0,0.0 +Pd125,1.0350050000000001e-10,6.719050000000001e-11 +Pd126,0.0,1e-12 +Pd127,3.3501300000000004e-20,9.5000002144085e-13 +Pd128,1.2729144999999999e-14,5.81466205e-14 +Pd129,0.0,1e-12 +Pd130,6.450044e-13,4.6280255e-13 +Ag103,0.0,1e-12 +Ag105,0.0,1e-12 +Ag105_m1,0.0,1e-12 +Ag106,0.0,1e-12 +Ag106_m1,0.0,1e-12 Ag107,0.002111764,9.672201500000001e-05 -Ag107_m1,0.0,0.0 -Ag108_m1,0.0,0.0 -Ag108,0.0,0.0 +Ag107_m1,0.0,1e-12 +Ag108_m1,0.0,1e-12 +Ag108,0.0,1e-12 Ag109_m1,0.00042245705,0.0002703729 Ag109,0.0004226686,0.00027050785 -Ag110,9.594335e-15,6.140363e-15 -Ag110_m1,2.165848e-14,1.386145e-14 +Ag110,9.594335e-15,5.6140363e-14 +Ag110_m1,2.165848e-14,6.386145e-14 Ag111,0.00020059985,7.3139595e-06 Ag111_m1,0.00019973385,2.0910310000000003e-05 Ag112,0.00015185064999999998,8.552012499999998e-06 @@ -610,16 +610,16 @@ Ag126,9.232207000000001e-12,5.9086205e-12 Ag127,2.0959005e-12,1.3413759999999998e-12 Ag128,1.5424169999999998e-13,9.8714735e-14 Ag129,1.0859717e-15,6.950201450000001e-16 -Ag130,6.3265535e-08,4.048995e-08 +Ag130,6.3265535e-08,4.049e-08 Ag131,1.5147370064645999e-09,9.69437004137345e-10 -Cd105,0.0,0.0 -Cd106,0.0,0.0 -Cd107,0.0,0.0 -Cd108,0.0,0.0 -Cd109,0.0,0.0 -Cd110,3.0967814999999995e-14,1.9819375e-14 +Cd105,0.0,1e-12 +Cd106,0.0,1e-12 +Cd107,0.0,1e-12 +Cd108,0.0,1e-12 +Cd109,0.0,1e-12 +Cd110,3.0967814999999995e-14,6.9819375e-14 Cd111,0.00020119985,5.348734e-06 -Cd111_m1,0.0,0.0 +Cd111_m1,0.0,1e-12 Cd112,0.00015185064999999998,6.0740135e-06 Cd113,0.00015614715,7.840914999999999e-06 Cd113_m1,1.8463875e-06,1.6927175e-07 @@ -645,19 +645,19 @@ Cd128,3.38151255e-05,2.164168025e-05 Cd129,3.0777665500000004e-08,1.96977065e-08 Cd130,0.00083414838502,0.00053385523241 Cd131,0.000130891146001,8.377052344049999e-05 -Cd132,9.100050000000001e-08,5.82405e-08 +Cd132,9.100050000000001e-08,5.8241449999999996e-08 Cd133,4.270509395000001e-09,2.73312559e-09 Cd134,4.7736587300000006e-11,3.05514241e-11 -Cd136,1.6850100000000001e-15,1.0784050000000002e-15 -In107,0.0,0.0 -In109,0.0,0.0 -In111,0.0,0.0 -In112,0.0,0.0 -In112_m1,0.0,0.0 +Cd136,1.6850100000000001e-15,9.51078405e-13 +In107,0.0,1e-12 +In109,0.0,1e-12 +In111,0.0,1e-12 +In112,0.0,1e-12 +In112_m1,0.0,1e-12 In113,0.00015799364999999997,7.93364e-06 -In113_m1,0.0,0.0 -In114,1.035424e-14,6.6267344999999995e-15 -In114_m1,0.0,0.0 +In113_m1,0.0,1e-12 +In114,1.035424e-14,5.66267345e-14 +In114_m1,0.0,1e-12 In115,0.00013361005,4.9816895e-06 In115_m1,0.000127212,6.9439465e-06 In116_m2,2.44054885e-11,1.5619478449999998e-11 @@ -670,12 +670,12 @@ In118,0.00012934855,2.2206914999999997e-05 In118_m1,1.5963170949999996e-08,1.02163876e-08 In119,7.579239499999999e-05,1.9726344999999998e-05 In119_m1,6.9850275e-05,2.3642845e-05 -In120_m2,0.0,0.0 +In120_m2,0.0,1e-12 In120,6.9552275e-05,1.8126235e-05 In120_m1,6.9552275e-05,1.8126235e-05 In121,6.316207000000001e-05,4.0423664999999995e-05 In121_m1,7.648848000000001e-05,4.895256e-05 -In122_m2,0.0,0.0 +In122_m2,0.0,1e-12 In122,0.00015123565,8.8772885e-05 In122_m1,1.2894649999999999e-05,8.2525835e-06 In123,0.000130376,3.7089330000000006e-05 @@ -692,10 +692,10 @@ In128_m1,0.00014447385,9.246313499999999e-05 In128,0.0001782505,0.00011408019999999999 In129,0.00029535514999999996,0.00010530835 In129_m1,0.00027445109999999997,6.0092805e-05 -In130_m2,0.0,0.0 -In130_m1,0.0,0.0 +In130_m2,0.0,1e-12 +In130_m1,0.0,1e-12 In130,0.0009611747,0.0003195872 -In131_m1,0.0,0.0 +In131_m1,0.0,1e-12 In131,0.00024992749999999995,8.426624e-05 In132,9.151702e-05,2.1541532100000003e-05 In133,5.323411e-06,3.4069790000000002e-06 @@ -703,11 +703,11 @@ In134,2.78964125e-07,1.7853708e-07 In135,8.622176775e-09,5.518213155e-09 In136,1.36596886e-10,8.7421864e-11 In137,3.3376935e-12,2.1361255e-12 -Sn111,0.0,0.0 -Sn112,0.0,0.0 -Sn113_m1,0.0,0.0 -Sn113,0.0,0.0 -Sn114,1.016424e-14,6.505143999999999e-15 +Sn111,0.0,1e-12 +Sn112,0.0,1e-12 +Sn113_m1,0.0,1e-12 +Sn113,0.0,1e-12 +Sn114,1.016424e-14,5.6505144e-14 Sn115,0.00013831354999999999,3.7225889999999996e-06 Sn116,7.331137049999999e-11,4.69056502e-11 Sn117_m1,2.8748874999999995e-07,1.8399235e-07 @@ -743,19 +743,19 @@ Sn136,8.5814455e-07,5.492123500000001e-07 Sn137,2.0833785e-07,1.3333655e-07 Sn138,1.1362578150000003e-09,7.27206775e-10 Sn139,8.505026300000001e-12,5.4432232500000006e-12 -Sb113,0.0,0.0 -Sb115,0.0,0.0 -Sb117,0.0,0.0 -Sb118,0.0,0.0 -Sb118_m1,0.0,0.0 -Sb119,3.6952434999999994e-14,2.364949e-14 +Sb113,0.0,1e-12 +Sb115,0.0,1e-12 +Sb117,0.0,1e-12 +Sb118,0.0,1e-12 +Sb118_m1,0.0,1e-12 +Sb119,3.6952434999999994e-14,7.364949e-14 Sb120,8.586192049999999e-13,5.49516255e-13 Sb120_m1,1.23632951e-12,7.912495549999999e-13 Sb121,0.00014240155000000003,8.913357499999999e-06 Sb122,3.7357341e-09,2.39086905e-09 Sb122_m1,1.9827075499999997e-09,1.2689385299999998e-09 Sb123,0.0001710077,7.727478500000001e-06 -Sb124_m2,1.1494145e-08,7.3562775e-09 +Sb124_m2,1.1494145e-08,7.3563275e-09 Sb124,9.939449499999999e-08,6.361249e-08 Sb124_m1,1.4834165e-08,9.4938925e-09 Sb125,0.00034744835,1.0990185499999999e-05 @@ -782,13 +782,13 @@ Sb139,1.7030005e-07,1.0899190150000001e-07 Sb140,9.083136e-09,5.81321385e-09 Sb141,2.49517788e-09,1.5969152469999998e-09 Sb142,1.9143207000000003e-12,1.2251626e-12 -Te115,0.0,0.0 -Te117,0.0,0.0 -Te118,0.0,0.0 -Te119,0.0,0.0 -Te120,0.0,0.0 -Te121_m1,0.0,0.0 -Te121,0.0,0.0 +Te115,0.0,1e-12 +Te117,0.0,1e-12 +Te118,0.0,1e-12 +Te119,0.0,1e-12 +Te120,0.0,1e-12 +Te121_m1,0.0,1e-12 +Te121,0.0,1e-12 Te122,3.6308935499999995e-09,2.32377455e-09 Te123,2.12185302e-11,1.357988215e-11 Te123_m1,1.63665602e-11,1.04745681e-11 @@ -818,12 +818,12 @@ Te141,3.07923505e-06,1.9707095e-06 Te142,6.6013875e-08,4.2248945e-08 Te143,4.279046893e-09,2.73859261e-09 Te144,3.39420175e-12,2.1722907e-12 -I121,0.0,0.0 -I123,0.0,0.0 -I125,4.99003e-15,3.19362e-15 -I126,1.614886e-12,1.0335240000000001e-12 +I121,0.0,1e-12 +I123,0.0,1e-12 +I125,4.99003e-15,9.5319362e-13 +I126,1.614886e-12,1.083524e-12 I127,0.0015592245,4.4475725e-05 -I128,9.879335e-09,6.3227535e-09 +I128,9.879335e-09,6.3228035e-09 I129,0.005667475999999999,9.207181000000001e-05 I130,2.0138575020300147e-06,1.28886500129921e-06 I130_m1,6.32655350570005e-07,4.0489950036480244e-07 @@ -848,14 +848,14 @@ I144,6.570931999999999e-08,4.20539095e-08 I145,5.8580710635e-09,3.7491774795e-09 I146,3.8867920904999996e-10,2.487547944e-10 I147,5.3216795e-13,3.405871e-13 -Xe124,0.0,0.0 -Xe125_m1,0.0,0.0 -Xe125,0.0,0.0 -Xe126,7.1244965e-13,4.559677e-13 -Xe127_m1,0.0,0.0 -Xe127,0.0,0.0 -Xe128,9.2238445e-09,5.903262e-09 -Xe129_m1,0.0,0.0 +Xe124,0.0,1e-12 +Xe125_m1,0.0,1e-12 +Xe125,0.0,1e-12 +Xe126,7.1244965e-13,5.059677e-13 +Xe127_m1,0.0,1e-12 +Xe127,0.0,1e-12 +Xe128,9.2238445e-09,5.903312e-09 +Xe129_m1,0.0,1e-12 Xe129,0.005667475999999999,0.003627179 Xe130,2.108848002120015e-06,3.3741625135680995e-07 Xe131,0.029106965,0.00015376235 @@ -882,10 +882,10 @@ Xe146,5.6819635e-07,3.3142372000000003e-07 Xe147,2.5167085e-08,1.610693e-08 Xe148,9.2045424e-10,5.890925250000001e-10 Xe149,1.1945736350000002e-12,7.64527515e-13 -Xe150,1.44501e-13,9.24805e-14 -Cs127,0.0,0.0 -Cs129,0.0,0.0 -Cs131,2.412829e-14,1.5442155000000002e-14 +Xe150,1.44501e-13,1.0424805e-12 +Cs127,0.0,1e-12 +Cs129,0.0,1e-12 +Cs131,2.412829e-14,6.544215500000001e-14 Cs132,7.010648501e-10,4.4868177005e-10 Cs133,0.06702187,0.0002396472 Cs134_m1,3.6781436e-08,2.35401455e-08 @@ -911,10 +911,10 @@ Cs149,2.4699139000000003e-08,1.580748e-08 Cs150,2.42391867e-09,1.5513083449999999e-09 Cs151,4.34470455785e-10,2.7806107171e-10 Cs152,2.83893239e-13,1.8169171505e-13 -Ba129,0.0,0.0 -Ba131,0.0,0.0 -Ba132,1.5388955e-11,6.925006e-12 -Ba133,9.879335e-15,6.3227535e-15 +Ba129,0.0,1e-12 +Ba131,0.0,1e-12 +Ba132,1.5388955e-11,6.975006e-12 +Ba133,9.879335e-15,5.63227535e-14 Ba134,7.3562872e-08,4.601108000000001e-09 Ba135_m1,3.63439355e-10,2.3260145249999996e-10 Ba135,0.065604215,0.04198666499999999 @@ -938,9 +938,9 @@ Ba150,3.19538175e-06,2.0450441499999998e-06 Ba151,4.909232420000001e-07,3.1419087450000003e-07 Ba152,7.64158955e-09,4.890615635000001e-09 Ba153,3.7182066475000004e-10,2.3796516524999996e-10 -Ba154,3.555025e-12,2.275215e-12 -La133,0.0,0.0 -La135,0.0,0.0 +Ba154,3.555025e-12,3.2252150000000002e-12 +La133,0.0,1e-12 +La135,0.0,1e-12 La137,6.595284599999999e-11,4.220985549999999e-11 La138,3.0208790004999996e-07,1.2088777049999999e-08 La139,0.063762675,0.00045484389999999995 @@ -963,8 +963,8 @@ La154,1.4288790499999999e-08,9.144811730000001e-09 La155,3.810343241e-10,2.438619075e-10 La156,2.2610331078999998e-11,1.4470613895500002e-11 La157,4.4783958300000003e-14,2.8661743350000004e-14 -Ce135,0.0,0.0 -Ce137,0.0,0.0 +Ce135,0.0,1e-12 +Ce137,0.0,1e-12 Ce138,9.072128001499999e-08,3.6304363099999996e-09 Ce139,9.42073505e-12,6.029268529999999e-12 Ce139_m1,6.68312505e-12,4.27720002e-12 @@ -988,9 +988,9 @@ Ce156,2.7794462000000006e-08,1.7788459300000003e-08 Ce157,1.099365196e-09,7.035955205e-10 Ce158,2.4936912435e-11,1.595962789e-11 Ce159,1.24596171305e-12,7.974178962950001e-13 -Ce160,3.0300200000000003e-15,1.9392100000000002e-15 -Pr139,0.0,0.0 -Pr140,0.0,0.0 +Ce160,3.0300200000000003e-15,9.5193921e-13 +Pr139,0.0,1e-12 +Pr140,0.0,1e-12 Pr141,0.058214674999999994,0.0006088295499999999 Pr142_m1,2.2009630099999997e-11,1.4086186099999999e-11 Pr142,4.4019165249999995e-11,2.817227715e-11 @@ -1016,8 +1016,8 @@ Pr159,1.094640677e-09,7.005718310000001e-10 Pr160,2.8826988100000002e-11,1.8449244365000003e-11 Pr161,7.822527175200001e-13,5.006433391900001e-13 Pr162,8.351562589e-16,5.345000059999999e-16 -Nd140,0.0,0.0 -Nd141,0.0,0.0 +Nd140,0.0,1e-12 +Nd141,0.0,1e-12 Nd142,4.4019165249999995e-11,2.817227715e-11 Nd143,0.058890765,0.00021420669999999998 Nd144,0.054519899999999996,0.00019877865 @@ -1039,13 +1039,13 @@ Nd159,2.3631526500000002e-07,1.5124184e-07 Nd160,1.9329815800000003e-08,1.2371118150000001e-08 Nd161,8.758565820000001e-10,5.60550014e-10 Nd162,2.2183207625e-11,1.419725688e-11 -Nd163,7.80005e-13,4.99203e-13 -Nd164,1.9400100000000002e-14,1.24161e-14 -Pm141,0.0,0.0 -Pm143,0.0,0.0 -Pm144,0.0,0.0 -Pm145,0.0,0.0 -Pm146,4.274696e-12,2.73581e-12 +Nd163,7.80005e-13,1.449203e-12 +Nd164,1.9400100000000002e-14,9.624161e-13 +Pm141,0.0,1e-12 +Pm143,0.0,1e-12 +Pm144,0.0,1e-12 +Pm145,0.0,1e-12 +Pm146,4.274696e-12,2.78581e-12 Pm147,0.022640305,0.00022640304999999998 Pm148,4.6131272000000004e-11,2.95239915e-11 Pm148_m1,7.777459e-11,4.977569e-11 @@ -1068,13 +1068,13 @@ Pm161,6.91897055e-08,4.428134e-08 Pm162,4.67462544e-09,2.9917610550000003e-09 Pm163,5.317338765e-10,3.4030848400000007e-10 Pm164,3.7916018860000004e-11,2.426624204e-11 -Pm165,1.77001e-12,1.132805e-12 +Pm165,1.77001e-12,2.082805e-12 Pm166,7.258751968325001e-14,4.64560825969e-14 -Sm143,0.0,0.0 -Sm143_m1,0.0,0.0 -Sm144,0.0,0.0 -Sm145,0.0,0.0 -Sm146,1.5008955e-12,6.754025e-13 +Sm143,0.0,1e-12 +Sm143_m1,0.0,1e-12 +Sm144,0.0,1e-12 +Sm145,0.0,1e-12 +Sm146,1.5008955e-12,7.254024999999999e-13 Sm147,0.022640305,0.000158482 Sm148,1.20826455e-10,7.711334e-11 Sm149,0.01108813,0.00011088129999999999 @@ -1095,11 +1095,11 @@ Sm163,2.6161055000000003e-08,1.67430811e-08 Sm164,5.557425915e-09,3.556745635e-09 Sm165,7.27427329e-10,4.65553286e-10 Sm166,8.756158072500001e-11,5.6039591645e-11 -Sm167,6.60005e-12,4.2240250000000005e-12 -Sm168,3.18002e-13,2.0352149999999998e-13 -Sm170,0.0,0.0 -Eu147,0.0,0.0 -Eu149,0.0,0.0 +Sm167,6.60005e-12,5.174025e-12 +Sm168,3.18002e-13,1.1535215e-12 +Sm170,0.0,1e-12 +Eu147,0.0,1e-12 +Eu149,0.0,1e-12 Eu151,0.0043779875,4.3779875e-05 Eu152_m2,8.620028549999999e-13,5.516819029999999e-13 Eu152,1.293000005e-12,8.275219049999999e-13 @@ -1121,13 +1121,13 @@ Eu165,1.40705734e-08,9.005152900000001e-09 Eu166,4.1938682900000006e-09,2.684074755e-09 Eu167,1.017132848e-09,6.509668250000001e-10 Eu168,1.355280731e-10,8.6737826765e-11 -Eu169,1.18001e-11,7.552050000000002e-12 -Eu170,5.80005e-13,3.7120250000000005e-13 -Gd147,0.0,0.0 -Gd149,0.0,0.0 -Gd151,0.0,0.0 +Eu169,1.18001e-11,8.502050000000002e-12 +Eu170,5.80005e-13,1.3212025e-12 +Gd147,0.0,1e-12 +Gd149,0.0,1e-12 +Gd151,0.0,1e-12 Gd152,1.359555005e-12,8.70114255e-13 -Gd153,0.0,0.0 +Gd153,0.0,1e-12 Gd154,1.8469920249999999e-09,1.182074515e-09 Gd155,0.00037604714999999996,1.9994935e-05 Gd156,0.00017912024999999998,4.7112235e-06 @@ -1145,16 +1145,16 @@ Gd167,1.30515753e-08,8.35299385e-09 Gd168,4.8157385750000005e-09,3.08207345e-09 Gd169,1.086135424e-09,6.951284687e-10 Gd170,1.74526458195e-10,1.1169679326000001e-10 -Gd171,1.71001e-11,1.0944050000000002e-11 -Gd172,4.065025e-12,2.6016150000000003e-12 -Tb151,0.0,0.0 -Tb153,0.0,0.0 -Tb155,0.0,0.0 -Tb156,0.0,0.0 -Tb156_m1,0.0,0.0 -Tb157,4.6831674999999996e-14,2.997231e-14 +Gd171,1.71001e-11,1.1894050000000002e-11 +Gd172,4.065025e-12,3.551615e-12 +Tb151,0.0,1e-12 +Tb153,0.0,1e-12 +Tb155,0.0,1e-12 +Tb156,0.0,1e-12 +Tb156_m1,0.0,1e-12 +Tb157,4.6831674999999996e-14,7.997231e-14 Tb158,1.265819515e-12,8.1012221e-13 -Tb158_m1,1.2634145e-13,8.08583e-14 +Tb158_m1,1.2634145e-13,1.308583e-13 Tb159,1.3894365e-05,1.26461415e-06 Tb160,2.70726005e-10,1.73264455e-10 Tb161,1.417798e-06,4.942182e-08 @@ -1170,11 +1170,11 @@ Tb169,6.08985215e-09,3.897498395e-09 Tb170,2.202161848e-09,1.409383985e-09 Tb171,6.1528238005e-10,3.9378002365000005e-10 Tb172,3.84012474335e-10,2.457678835535e-10 -Dy155,0.0,0.0 -Dy156,0.0,0.0 -Dy157,0.0,0.0 -Dy158,2.0233575e-13,1.2949449999999998e-13 -Dy159,0.0,0.0 +Dy155,0.0,1e-12 +Dy156,0.0,1e-12 +Dy157,0.0,1e-12 +Dy158,2.0233575e-13,1.794945e-13 +Dy159,0.0,1e-12 Dy160,2.70726005e-10,1.73264455e-10 Dy161,1.417798e-06,4.942182e-08 Dy162,3.2104055e-07,1.0273308e-07 @@ -1189,16 +1189,16 @@ Dy169,8.65523575e-09,3.9338435000000004e-09 Dy170,4.9475523400000004e-09,3.1664342900000005e-09 Dy171,2.4856542400000003e-09,1.5908191155000003e-09 Dy172,3.6917158765e-09,2.362697164e-09 -Ho159,0.0,0.0 -Ho159_m1,0.0,0.0 -Ho161,0.0,0.0 -Ho161_m1,0.0,0.0 -Ho162,0.0,0.0 -Ho162_m1,0.0,0.0 -Ho163,0.0,0.0 -Ho163_m1,0.0,0.0 -Ho164,1.092424e-14,6.991506e-15 -Ho164_m1,0.0,0.0 +Ho159,0.0,1e-12 +Ho159_m1,0.0,1e-12 +Ho161,0.0,1e-12 +Ho161_m1,0.0,1e-12 +Ho162,0.0,1e-12 +Ho162_m1,0.0,1e-12 +Ho163,0.0,1e-12 +Ho163_m1,0.0,1e-12 +Ho164,1.092424e-14,5.6991506e-14 +Ho164_m1,0.0,1e-12 Ho165,4.73436135e-08,1.1702921e-08 Ho166,3.1798453e-08,1.3861044e-08 Ho166_m1,9.8238685e-13,6.287276499999999e-13 @@ -1209,11 +1209,11 @@ Ho170,5.042322055000001e-09,2.26903742e-09 Ho170_m1,1.0018366750000001e-10,6.4117731e-11 Ho171,2.8708235750000005e-09,1.2958242499999999e-09 Ho172,5.2552461295e-09,2.3658405225000004e-09 -Er161,0.0,0.0 -Er162,0.0,0.0 -Er163,0.0,0.0 -Er164,0.0,0.0 -Er165,0.0,0.0 +Er161,0.0,1e-12 +Er162,0.0,1e-12 +Er163,0.0,1e-12 +Er164,0.0,1e-12 +Er165,0.0,1e-12 Er166,3.1798453e-08,1.0175493999999999e-08 Er167,2.40964885e-08,4.2308468e-09 Er167_m1,2.4096488500000003e-09,6.058399e-10 @@ -1222,30 +1222,30 @@ Er169,8.726133849999999e-09,3.9267624e-09 Er170,5.147641675e-09,1.6472393550000001e-09 Er171,2.8823433850000003e-09,9.252505849999999e-10 Er172,5.357345487000001e-09,1.715292972e-09 -Tm165,0.0,0.0 -Tm166,0.0,0.0 -Tm167,0.0,0.0 -Tm168,0.0,0.0 +Tm165,0.0,1e-12 +Tm166,0.0,1e-12 +Tm167,0.0,1e-12 +Tm168,0.0,1e-12 Tm169,8.726133849999999e-09,2.7923618700000003e-09 -Tm170,0.0,0.0 +Tm170,0.0,1e-12 Tm171,2.8823433850000003e-09,9.252505849999999e-10 Tm172,5.357354987000001e-09,1.715297247e-09 -Yb166,0.0,0.0 -Yb167,0.0,0.0 -Yb168,0.0,0.0 -Yb169,0.0,0.0 -Yb169_m1,0.0,0.0 -Yb170,0.0,0.0 +Yb166,0.0,1e-12 +Yb167,0.0,1e-12 +Yb168,0.0,1e-12 +Yb169,0.0,1e-12 +Yb169_m1,0.0,1e-12 +Yb170,0.0,1e-12 Yb171,2.8823433850000003e-09,9.223484965e-10 Yb172,5.357354987000001e-09,1.7143475985e-09 -Lu169,0.0,0.0 -Lu169_m1,0.0,0.0 -Lu171,0.0,0.0 -Lu171_m1,0.0,0.0 -Lu172,0.0,0.0 -Lu172_m1,0.0,0.0 -Hf171,0.0,0.0 -Hf172,0.0,0.0 +Lu169,0.0,1e-12 +Lu169_m1,0.0,1e-12 +Lu171,0.0,1e-12 +Lu171_m1,0.0,1e-12 +Lu172,0.0,1e-12 +Lu172_m1,0.0,1e-12 +Hf171,0.0,1e-12 +Hf172,0.0,1e-12 Ti66,3.9935100000000005e-20,2.5558450000000004e-20 V67,1.37673e-17,8.81105e-18 V68,8.443000000000001e-19,5.4035e-19 @@ -1267,7 +1267,7 @@ Br100,6.897600000000001e-15,4.414475e-15 Kr102,1.4654550000000002e-13,9.3789e-14 Rb104,3.8068799999999997e-13,2.436405e-13 Rb105,8.476600000000001e-14,5.425050000000001e-14 -Sr109,0.0,0.0 +Sr109,0.0,5e-14 Y111,6.9473499999999996e-15,4.4463e-15 Zr113,3.92778e-15,2.51378e-15 Zr114,1.9290300000000002e-16,1.23458e-16 @@ -1278,8 +1278,8 @@ Tc120,3.561885e-15,2.279605e-15 Tc121,2.4980800000000003e-16,1.59877e-16 Ru123,6.805200000000001e-16,4.35533e-16 Rh125,4.2282349999999996e-15,2.7060700000000002e-15 -Rh127,0.0,0.0 -Pd131,0.0,0.0 +Rh127,0.0,5e-14 +Pd131,0.0,5e-14 Ag132,3.4299600000000005e-12,2.1951750000000003e-12 Ag133,1.7271750000000002e-13,1.1053950000000002e-13 Cd135,4.44323e-13,2.8436650000000003e-13 diff --git a/tests/integration/test-data/reference/test5/group_parameters.csv b/tests/integration/test-data/reference/test5/group_parameters.csv index 39b6ddb7..f63270bf 100644 --- a/tests/integration/test-data/reference/test5/group_parameters.csv +++ b/tests/integration/test-data/reference/test5/group_parameters.csv @@ -1,7 +1,7 @@ yield,sigma yield,half_life,sigma half_life -0.0005094944668938952,2.335413144236929e-05,55.636293260623944,0.14090363894702096 -0.002524804042662093,0.0001752310679797657,24.478359133593315,0.23907065400608057 -0.0013912695155729915,8.320146837680298e-05,15.688089235513093,1.363619521479378 -0.003461425878871525,0.0017452870402273127,5.056098044378577,0.7297870122325777 -0.007400120450016365,0.0012983398187285018,1.9378344238129352,0.7389130468837333 -0.008370766512769943,0.001275681868878413,0.027906714637617423,2.6767239500030275e-05 +0.0005104407652184309,2.3758094644940694e-05,55.64057421591335,0.14180028468080186 +0.0024601911130200187,8.855109511061982e-05,24.557193990666274,0.0953915723633562 +0.0013774883631744637,6.731152459336245e-05,16.382607338259344,0.07040892694674532 +0.0023903122696216795,0.0001010722796706357,5.6001146511530875,0.03538848690892755 +0.005886946586627317,0.0006924416149521448,2.573520432122342,0.05179238164600114 +0.011098484175465722,0.001288243714968465,0.9763591354276622,0.03440441581274391 diff --git a/tests/integration/test-data/reference/test5/half_life.csv b/tests/integration/test-data/reference/test5/half_life.csv index 7c78015b..787e5dc2 100644 --- a/tests/integration/test-data/reference/test5/half_life.csv +++ b/tests/integration/test-data/reference/test5/half_life.csv @@ -29,7 +29,8 @@ F22,4.23,0.04,0.055,0.055 F23,2.23,0.14,0.07,0.07 F24,0.382,0.016,0.029500000000000002,0.029500000000000002 F25,0.075,0.01,0.195,0.05 -F26,0.0022,0.0001,0.021599999999999998,0.019534584715319648 +F26,0.0082,0.0009,0.135,0.04 +F26_m1,0.0022,0.0001,0.021599999999999998,0.019534584715319648 F27,0.0057,0.0008,0.8,0.2 F29,0.00267,0.00021,0.6,0.4 Ne26,0.195,0.002,0.0013,0.0003 @@ -96,7 +97,7 @@ Ca52,4.6,0.3,0.01,0.01 Ca53,0.461,0.09,0.4,0.1 Sc54,0.526,0.015,0.16,0.09 Sc55,0.096,0.002,0.17,0.07 -Sc56,0.069,0.007,0.24,0.12 +Sc56_m1,0.069,0.007,0.24,0.12 V59,0.092,0.009,0.06,0.03 V61,0.0483,0.001,0.2,0.1 V63,0.0196,0.001,0.67,0.33 @@ -106,10 +107,12 @@ Mn66,0.0639,0.0011,0.05,0.013999999999999999 Mn68,0.0352,0.002,0.15,0.09 Mn69,0.0258,0.0028,0.4,0.2 Mn70,0.0199,0.0017,0.5,0.2 -Co68,1.6,0.3,0.06,0.03 -Co70,0.508,0.007,0.03,0.015 +Co68_m1,1.6,0.3,0.06,0.03 +Co70,0.113,0.007,0.03,0.015 +Co70_m1,0.508,0.007,0.03,0.015 Co71,0.08,0.003,0.188,0.08121576201698781 -Co72,0.0478,0.0005,0.074,0.03059411708155671 +Co72,0.0515,0.0003,0.074,0.03059411708155671 +Co72_m1,0.0478,0.0005,0.074,0.03059411708155671 Co73,0.0407,0.0013,0.26,0.09848857801796104 Co74,0.0314,0.0015,0.22999999999999998,0.1522366578718805 Co75,0.0265,0.0012,0.08,0.08 @@ -132,7 +135,8 @@ Zn82,0.1779,0.0025,0.69,0.07 Zn83,0.0997,0.003,0.71,0.29 Zn84,0.0536,0.0081,0.73,0.26 Ga79,2.852,0.01,0.00084,0.00029 -Ga80,1.3,0.2,0.0045000000000000005,0.0007000000000000001 +Ga80,1.9,0.1,0.0045000000000000005,0.0007000000000000001 +Ga80_m1,1.3,0.2,0.0045000000000000005,0.0007000000000000001 Ga81,1.217,0.004,0.125,0.008 Ga82,0.601,0.002,0.22699999999999998,0.02 Ga83,0.31,0.001,0.67,0.06 @@ -173,7 +177,8 @@ Rb94,2.704,0.015,0.1039,0.0022 Rb95,0.378,0.002,0.08800000000000001,0.004 Rb96,0.2016,0.001,0.141,0.008 Rb97,0.169,0.001,0.249,0.015 -Rb98,0.096,0.003,0.07204,0.009001088823025803 +Rb98,0.115,0.006,0.07204,0.009001088823025803 +Rb98_m1,0.096,0.003,0.07204,0.009001088823025803 Rb99,0.0578,0.0009,0.191,0.023 Rb100,0.051,0.002,0.059,0.012041594578792296 Rb101,0.0315,0.0045,0.28,0.05 @@ -184,11 +189,15 @@ Sr99,0.269,0.002,0.00096,0.00016 Sr100,0.2007,0.0013,0.0111,0.0021 Sr101,0.115,0.001,0.0252,0.0025 Sr102,0.072,0.008,0.055,0.02 -Y97,1.17,0.03,0.0003972,0.0003972 -Y98,2.32,0.08,0.03096,0.009216078341680914 +Y97,3.74,0.05,0.00057594,9.93e-05 +Y97_m1,1.17,0.03,0.0003972,0.0003972 +Y98,0.548,0.002,0.0033,0.0003 +Y98_m1,2.32,0.08,0.03096,0.009216078341680914 Y99,1.478,0.007,0.0197,0.003 -Y100,0.94,0.03,0.0051,0.0006 +Y100,0.732,0.005,0.0051,0.0006 +Y100_m1,0.94,0.03,0.0051,0.0006 Y101,0.432,0.012,0.019799999999999998,0.002 +Y102_m1,0.396,0.036,0.06,0.017 Y102,0.3,0.01,0.04,0.015 Y103,0.236,0.016,0.081,0.02 Y104,0.212,0.02,0.34,0.1 @@ -198,13 +207,15 @@ Zr104,0.92,0.028,0.005,0.005 Zr105,0.666,0.028,0.01,0.01 Zr106,0.175,0.007,0.035,0.035 Zr107,0.15,0.003,0.115,0.115 -Nb104,0.98,0.07,0.0005,0.0003 +Nb104,4.9,0.4,0.0006,0.0003 +Nb104_m1,0.98,0.07,0.0005,0.0003 Nb105,2.91,0.07,0.017,0.009000000000000001 Nb106,1.084,0.021,0.045,0.003 Nb107,0.287,0.011,0.07400000000000001,0.01 Nb108,0.192,0.006,0.063,0.005 Nb109,0.113,0.011,0.31,0.05 -Nb110,0.094,0.009,0.2,0.08 +Nb110,0.075,0.001,0.2,0.08 +Nb110_m1,0.094,0.009,0.2,0.08 Mo109,0.692,0.026,0.013000000000000001,0.006 Mo110,0.287,0.01,0.02,0.006999999999999999 Mo111,0.186,0.009,0.06,0.06 @@ -213,7 +224,8 @@ Tc110,0.911,0.014,0.0004,0.0002 Tc111,0.294,0.02,0.0085,0.002 Tc112,0.305,0.01,0.017,0.004 Tc113,0.152,0.008,0.021,0.003 -Tc114,0.1,0.02,0.006500000000000001,0.004 +Tc114,0.09,0.02,0.006500000000000001,0.004 +Tc114_m1,0.1,0.02,0.006500000000000001,0.004 Tc115,0.078,0.002,0.19,0.05 Tc116,0.057,0.003,0.17,0.07 Ru116,0.203,0.006,0.004,0.004 @@ -222,7 +234,8 @@ Ru118,0.099,0.003,0.023,0.023 Ru119,0.0692,0.002,0.06,0.05 Ru120,0.045,0.002,0.06,0.03 Ru121,0.03,0.003,0.13,0.04 -Rh116,0.57,0.05,0.00525,0.00525 +Rh116,0.69,0.05,0.00525,0.00525 +Rh116_m1,0.57,0.05,0.00525,0.00525 Rh117,0.42,0.04,0.038,0.038 Rh118,0.286,0.01,0.021,0.009000000000000001 Rh119,0.189,0.006,0.034,0.009000000000000001 @@ -239,36 +252,49 @@ Pd125,0.0641,0.0017,0.037000000000000005,0.004 Pd126,0.0488,0.0008,0.049,0.009000000000000001 Pd127,0.038,0.002,0.09,0.03 Pd128,0.036,0.005,0.1,0.07 -Ag120,0.44,0.05,3.1500000000000003e-06,3.1500000000000003e-06 +Ag120,0.94,0.1,5e-06,5e-06 +Ag120_m1,1.52,0.07,5e-06,5e-06 +Ag120_m2,0.44,0.05,3.1500000000000003e-06,3.1500000000000003e-06 Ag121,0.777,0.012,0.0008,0.00013 -Ag122,0.2,0.05,0.0009299999999999999,6e-05 +Ag122,0.529,0.019,0.0009281399999999999,5.988e-05 +Ag122_m1,0.2,0.05,0.0009299999999999999,6e-05 Ag123,0.3,0.008,0.0085,0.0015 -Ag124,0.144,0.02,0.006500000000000001,0.009000000000000001 -Ag125,0.159,0.021,0.046,0.01 -Ag126,0.1026,0.0014,0.038,0.002 +Ag124,0.191,0.028,0.0115,0.011000000000000001 +Ag124_m1,0.144,0.02,0.006500000000000001,0.009000000000000001 +Ag125,0.176,0.003,0.012,0.002 +Ag125_m1,0.159,0.021,0.046,0.01 +Ag126_m1,0.1026,0.0014,0.038,0.002 Ag127,0.0891,0.0009,0.055,0.002 Ag128,0.0659,0.0024,0.09300000000000001,0.005 Ag129,0.052,0.003,0.179,0.013999999999999999 -Cd127,0.36,0.04,0.006,0.006 +Cd127_m1,0.36,0.04,0.006,0.006 Cd128,0.2461,0.0021,0.0095,0.0095 Cd129,0.151,0.004,0.0184,0.0015 Cd130,0.1287,0.0023,0.03,0.002 Cd131,0.083,0.015,0.035,0.01 Cd132,0.084,0.005,0.6,0.15 -In127,3.618,0.032,0.006999999999999999,0.0006 -In128,0.72,0.1,0.00019199999999999998,3.6e-05 -In129,1.165,0.01,0.035393499999999994,0.0061814 -In130,0.535,0.006,0.00975,0.0015 -In131,0.32,0.06,0.11879999999999999,0.0693 +In127,1.087,0.011,0.00015,0.00015 +In127_m1,3.618,0.032,0.006999999999999999,0.0006 +In128,0.84,0.06,0.00019199999999999998,3.6e-05 +In128_m1,0.72,0.1,0.00019199999999999998,3.6e-05 +In129,0.607,0.006,0.0023,0.001 +In129_m1,1.165,0.01,0.035393499999999994,0.0061814 +In130,0.275,0.008,0.012,0.0029 +In130_m1,0.535,0.006,0.00975,0.0015 +In130_m2,0.535,0.006,0.00975,0.0015 +In131,0.266,0.008,0.011049999999999999,0.0027 +In131_m1,0.33,0.015,0.011049999999999999,0.0027 +In131_m2,0.32,0.06,0.11879999999999999,0.0693 In132,0.2013,0.0012,0.12300000000000001,0.004 -In133,0.167,0.011,0.93,0.03 +In133,0.162,0.002,0.9,0.03 +In133_m1,0.167,0.011,0.93,0.03 In134,0.121,0.006,1.07,0.05 Sn133,1.42,0.06,0.000294,2.3999999999999997e-05 Sn134,0.902,0.028,0.17,0.13 Sn135,0.516,0.005,0.21,0.03 Sn136,0.361,0.005,0.27,0.04 Sn137,0.221,0.017,0.5,0.1 -Sb134,9.97,0.1,0.0008799999999999999,3.6e-05 +Sb134_m1,9.97,0.1,0.0008799999999999999,3.6e-05 Sb135,1.668,0.01,0.2,0.028999999999999998 Sb136,0.924,0.014,0.2518,0.07300246571178264 Sb137,0.506,0.025,0.49,0.08 diff --git a/tests/integration/test-data/reference/test6/concentrations.csv b/tests/integration/test-data/reference/test6/concentrations.csv index 54ed3e2b..94d4f14d 100644 --- a/tests/integration/test-data/reference/test6/concentrations.csv +++ b/tests/integration/test-data/reference/test6/concentrations.csv @@ -1,206 +1,214 @@ Time,Nuclide,Concentration,sigma Concentration -0,Rb96,0.0005998289709035946,9.60190357301698e-05 +0,Ru118,9.882915334757776e-11,6.332156997131108e-11 +0,Rh120,4.585568533125004e-09,2.9398203427116496e-09 +0,In129,0.0002411642746133097,7.720927188606783e-05 +0,Zn80,1.9616360206523397e-06,1.2554897647675713e-06 +0,Pd122,1.3418271416016584e-08,8.594576388683844e-09 +0,Ba149,5.245514519820738e-06,3.3583085939943576e-06 +0,Rb98,6.621000746612865e-06,1.1142595672689705e-06 0,Nb106,0.00024613773349287284,0.00015760036403363796 -0,Rh122,2.1502581872957674e-13,1.3775448856729138e-13 +0,Tc116,5.188571202287346e-12,3.33189373879173e-12 +0,Sr97,0.010825338990686512,0.0003283204528299923 +0,Rh123,5.186758167429462e-15,3.3268857670945786e-15 +0,Rb97,9.25701478698446e-05,7.425855902497594e-06 +0,Br92,0.00012920164217887197,8.286628407432986e-05 +0,Y103,8.80069250959384e-06,5.663941391674421e-06 +0,Br90,0.015556537893278584,0.0006275631584751316 0,Nb108,2.4927997522895045e-07,1.597292453833168e-07 -0,Mn70,0.0,2.870963131369037e-14 -0,Zn79,1.7638454202646298e-05,7.999205611027386e-06 -0,Ge85,1.527860863755489e-05,9.78002035436031e-06 -0,Kr92,0.044467575090041615,0.001259998817673887 -0,La147,0.05224684551229745,0.0031486626661039892 -0,Mo110,1.6155207312470014e-05,1.0354640857644093e-05 -0,Zn82,2.771673511602564e-08,1.7743042631341e-08 -0,As87,0.00036818294751460675,0.00016780772408679878 -0,Y104,1.7371133198973867e-06,1.1237647247038152e-06 -0,Ge86,0.002013586463516308,0.0003789648516608505 -0,Sr99,0.0005169485789591427,5.6993893381608066e-05 -0,Zr103,0.00998354374666829,0.0064106532710834965 -0,Pd124,3.7019863485949556e-10,2.372217458008428e-10 -0,Nb107,9.580534966088189e-06,6.1425376124136135e-06 -0,Sb136,0.0001533567631540081,9.817572253638816e-05 -0,Sn137,5.9299277487929266e-08,3.822478353005186e-08 -0,Rh116,7.342943955839729e-06,4.743423204284631e-06 -0,Mn68,3.3819001587892504e-14,2.172929302971174e-14 -0,Te138,0.0013948422602238168,0.0005410098079239355 -0,I138,0.13404600986033238,0.003811708516476155 -0,I141,0.00024669366737070913,5.693382583511221e-05 -0,Xe147,2.289407999493061e-09,1.5088309069326803e-09 -0,Ag126,7.030471012034299e-13,4.500535249185536e-13 -0,Sb134,0.05360879946158333,0.0343138678378911 -0,Zr107,3.370950738214721e-10,2.1584586093241427e-10 -0,Tc113,3.069835757365499e-07,1.9713293914484466e-07 -0,In129,0.0004628605929563522,0.00014816846519357025 -0,Pd127,0.0,5.482241155378061e-14 +0,Kr93,0.009051352289901457,0.0003718046752566228 +0,Ru116,7.204032621132696e-08,4.615491475404942e-08 0,Br93,6.768988941439157e-06,2.1951797327269033e-06 -0,Ba147,0.0031712591230974472,0.0005080076448353924 -0,Kr98,1.012971587697711e-06,6.551183033331164e-07 -0,Rh117,2.8295020956669455e-06,1.830822599340433e-06 -0,Pd126,0.0,7.040351799538143e-14 -0,Ru121,1.6362585491349538e-16,1.0599123408046919e-16 -0,Se91,2.5940711445258455e-06,1.7283089409662936e-06 -0,Ag123,1.1944649321536084e-06,7.651243199062325e-07 -0,Cd129,1.5771008245563515e-09,1.0102079748368665e-09 -0,Ga86,2.328000293814147e-08,1.4929205834025092e-08 -0,Nb109,7.88983343419521e-07,5.107565439201369e-07 -0,Tc109,0.0003779180199339289,9.186295043159631e-05 -0,Ag125,3.807574024708529e-12,2.4881890661534225e-12 -0,Rb101,7.15847966948613e-10,4.694182463942883e-10 -0,As85,0.006385923241329832,0.004087052942348632 -0,Rb92,0.31261087987828934,0.004591801077109555 -0,Co70,1.5609438086813782e-09,9.99232630474435e-10 -0,Tc114,1.0112570889111191e-08,6.7807031241818635e-09 -0,Se87,0.06198078879191884,0.0028070515574276046 -0,Sb135,0.0035076872390015163,0.00021150877058781378 -0,Cs142,0.06613169119864251,0.0019313045989540058 -0,Mn66,6.655518826857629e-13,4.2610692861297763e-13 -0,Sr101,7.445506733261071e-06,3.351110148160393e-06 +0,Pd127,0.0,5.482241155378061e-14 +0,In131_m1,0.0,4.76089363493358e-13 +0,Ni77,1.2908117714295773e-10,8.268083626174672e-11 +0,Rb99,3.898828698714275e-08,2.4959924310476514e-08 +0,Zn81,0.0,4.3136581722580003e-13 0,Mn69,2.988676861278588e-15,1.940060866943332e-15 -0,Co74,1.3589235972064074e-12,8.721279555371717e-13 -0,Rb100,2.557736004304032e-05,1.640021183690587e-05 -0,Rh124,4.725950839695729e-16,3.0442189859384615e-16 -0,Ag121,2.9423438877042655e-05,6.782638152263887e-06 -0,I140,0.0013079556917011714,0.0003029140120803763 -0,Rh121,1.5164557102444936e-11,9.714194661189905e-12 -0,Cs148,2.8554887987874132e-08,1.8276504773916464e-08 -0,Rh118,1.501795966563806e-07,9.625853820899038e-08 -0,Y98,0.06419211568321742,0.0149291923282918 -0,Ga79,0.0007705636248401479,8.480476119112005e-05 -0,Kr99,6.552893999122579e-13,4.624243150718014e-13 -0,Xe144,3.3869014054179956e-05,3.775369310902681e-06 -0,Sr100,0.00012425701267431091,2.859041499022604e-05 -0,Sn133,0.0028248721987417244,0.0012767870447695595 -0,Zr106,4.2412204542549655e-09,2.7196693857483876e-09 -0,Cd130,0.00016303143224028022,0.00010438083870996553 -0,Ag120,2.1018647133831962e-05,1.3662336929607712e-05 +0,Te138,0.0013948422602238168,0.0005410098079239355 +0,Ba148,0.00019758856681687895,8.910159835759076e-05 +0,Sb139,3.675724393687637e-09,2.359478012807112e-09 +0,Cu74,1.678233042887488e-06,1.074168946877656e-06 +0,Ru121,1.6362585491349538e-16,1.0599123408046919e-16 +0,Zn84,9.433375455293384e-10,6.203402346027477e-10 +0,Te137,0.016350387504778824,0.001828029250813492 +0,Sb136,0.0001533567631540081,9.817572253638816e-05 0,Br87,1.6331327541223424,0.032958134523881084 0,Cu79,0.0,3.4812231336650684e-13 -0,Ag124,1.1466884123483229e-06,7.509627574847691e-07 -0,Ga82,5.4386841146127635e-05,3.4808062741337526e-05 -0,Zn80,1.9616360206523397e-06,1.2554897647675713e-06 -0,Xe143,0.00019529177611405312,0.0001250080938850028 -0,Pd125,0.0,9.247675212098255e-14 -0,Ag129,2.189537868096035e-18,1.4069906858119795e-18 -0,Cs147,7.416507336648418e-06,4.746672053405954e-06 -0,Pd123,6.389103676974422e-10,4.092669531901521e-10 -0,Tc115,1.0150427784062133e-10,6.501479533916107e-11 -0,As84,0.007415485980694222,0.0047472147850452905 -0,Br94,1.6762904511295412e-07,7.191125971061841e-08 +0,I139,0.02557676017044232,0.002049857621947831 +0,In131,9.554471814557506e-05,3.0709108139557144e-05 0,Cu75,1.8010522945379495e-06,1.1526798021694858e-06 -0,La150,7.70083634429264e-05,4.93776268968215e-05 -0,Rb94,0.06431500790926845,0.0018358230135221282 -0,Y97,0.08253230281307128,0.019099980682559855 -0,Rb95,0.004200951430903458,0.00016950163109824418 -0,Pd121,1.978806721671978e-07,1.2664551859840523e-07 -0,Cd127,4.235162866317281e-05,1.9630598446159934e-05 0,Pd128,6.959093444055111e-16,4.557472389983377e-16 -0,Co71,1.719565531576046e-10,1.102413410025453e-10 -0,Br90,0.015556537893278584,0.0006275631584751316 -0,Kr95,1.1824355389253705e-05,3.7965721162070583e-06 -0,Te137,0.016350387504778824,0.001828029250813492 -0,Ga84,1.5201571463491998e-05,9.737208773645019e-06 -0,Mo109,0.0001598440145287702,0.00010247654411355591 -0,In133,4.119615112180419e-07,2.6504728748060725e-07 +0,Xe144,3.3869014054179956e-05,3.775369310902681e-06 +0,Cs147,7.416507336648418e-06,4.746672053405954e-06 +0,Mn68,3.3819001587892504e-14,2.172929302971174e-14 +0,Sr100,0.00012425701267431091,2.859041499022604e-05 +0,Sn136,8.176189789045641e-08,5.2339887724948564e-08 +0,Y99,0.044402230382207114,0.0026724292968112414 +0,Nb105,0.010629530360417892,0.0034110466375031484 0,Ag128,1.1883344736894085e-14,7.617649842678533e-15 +0,Tc109,0.0003779180199339289,9.186295043159631e-05 +0,Cd128,1.2613941158841451e-05,8.073639866420827e-06 +0,Co70,3.4721781571062156e-10,2.2325727949701488e-10 +0,Ru119,6.538700303647901e-13,4.189027501084252e-13 +0,Ga84,1.5201571463491998e-05,9.737208773645019e-06 0,Xe145,1.9418446150392954e-07,6.227631601427726e-08 -0,Zr104,0.0011063551025057934,0.00012627129570491643 -0,Zn84,9.433375455293384e-10,6.203402346027477e-10 -0,Cu80,8.580905984779687e-11,5.5131237394039296e-11 -0,Y101,0.0017606027034751245,0.0001490972190826355 -0,Sb139,3.675724393687637e-09,2.359478012807112e-09 +0,Ni75,7.323372528038435e-09,4.687497256084892e-09 +0,Ga82,5.4386841146127635e-05,3.4808062741337526e-05 +0,Ag120_m1,9.59324222400834e-06,6.155546140776539e-06 +0,In127_m1,0.0005393120313899491,0.00012413297991479915 +0,Kr94,0.0002647804306896804,2.9793987783497966e-05 0,Mo111,6.117751783357747e-07,3.9265418991206275e-07 -0,Cs150,2.3253165347912836e-12,1.4906920128710036e-12 -0,Ag127,2.0308558261217075e-13,1.2999101148150208e-13 -0,Ga81,0.00014357585833300998,2.2977032942259093e-05 -0,Y105,7.107896400905744e-13,4.577030395959752e-13 -0,Ni77,1.2908117714295773e-10,8.268083626174672e-11 -0,Ru118,9.882915334757776e-11,6.332156997131108e-11 -0,Rh123,5.186758167429462e-15,3.3268857670945786e-15 +0,In128,0.00020233036205486124,0.00013029527392071437 +0,Ag125,4.21467313426856e-12,2.6983392036687725e-12 +0,As84,0.007415485980694222,0.0047472147850452905 +0,Mn70,0.0,2.870963131369037e-14 +0,In130_m2,0.0,7.718418468755954e-13 0,Sb138,1.8208973150267984e-07,1.1660460112931494e-07 -0,Xe146,2.232567401846581e-08,7.202855715920332e-09 -0,Sb137,0.0005427555540168058,0.00034839703725773376 -0,Pd122,1.3418271416016584e-08,8.594576388683844e-09 -0,Cu76,7.654700644838209e-07,4.89994935053447e-07 -0,Br91,0.0017596350590572997,0.0001962442049170239 -0,Cs143,0.03766809161498418,0.0010714815354650887 -0,Ba149,5.245514519820738e-06,3.3583085939943576e-06 -0,Kr93,0.009051352289901457,0.0003718046752566228 +0,As86,0.007530853109411963,0.0012075744991579226 +0,Ga80,0.0003275145688634407,7.727529244304402e-05 +0,Ga87,1.0631661220993284e-11,6.960492428554583e-12 0,Zn83,9.0898318953129e-11,5.823915799112472e-11 -0,Tc112,3.057937202150519e-06,1.9596478498852118e-06 -0,Cs144,0.0060419349417490924,0.00036380099713599243 +0,Pd123,6.389103676974422e-10,4.092669531901521e-10 +0,Ag122,2.587016279214196e-06,1.658298376457878e-06 +0,Pd125,0.0,9.247675212098255e-14 +0,Te136,0.34132057899864665,0.02736098317676223 +0,Cs150,2.3253165347912836e-12,1.4906920128710036e-12 +0,In127,0.0007095646203201498,0.00011375721836032524 +0,Co74,1.3589235972064074e-12,8.721279555371717e-13 +0,Cd130,0.00016303143224028022,0.00010438083870996553 +0,Ni76,1.6996561308209975e-09,1.087953610902291e-09 0,Xe141,0.0312115738284086,0.000904920600997788 -0,Ag122,9.780779883607547e-07,6.720337910535373e-07 -0,Ge84,0.00041289760100993265,9.508611509510198e-05 -0,Cu81,0.0,1.0560527699307212e-13 -0,Sr97,0.010825338990686512,0.0003283204528299923 -0,Rb99,3.898828698714275e-08,2.4959924310476514e-08 -0,Cu73,3.2839207369511107e-06,2.1049750159570336e-06 -0,Y99,0.044402230382207114,0.0026724292968112414 -0,Ru117,5.525704363257898e-09,3.5381434304186313e-09 -0,Cd128,1.2613941158841451e-05,8.073639866420827e-06 -0,Cd132,0.0,1.2118638343467292e-13 -0,Co72,4.006341074281898e-11,2.564402389220645e-11 -0,In134,6.057007252930621e-09,3.888102593770287e-09 -0,Cs141,1.498027332609485,0.021280522601805508 -0,Rh119,5.0712956765695156e-09,3.249628389303291e-09 -0,Cs145,0.0006355274411476929,5.126256105963185e-05 -0,Sr102,1.7968962940797598e-07,8.328864542350935e-08 -0,Y103,8.80069250959384e-06,5.663941391674421e-06 -0,Ga80,0.00022408891553814367,6.200763732222771e-05 -0,Tc111,2.0014349317259084e-05,1.2881345102134617e-05 +0,Ga86,2.328000293814147e-08,1.4929205834025092e-08 +0,Y97_m1,0.0,1.6879531978400872e-12 +0,Tc114,9.101313800200071e-09,6.165982023904878e-09 +0,Br91,0.0017596350590572997,0.0001962442049170239 +0,Pd121,1.978806721671978e-07,1.2664551859840523e-07 +0,Br88,0.4182350835876028,0.011889346056616085 0,Kr97,2.660675310704095e-08,1.7114385893024584e-08 -0,In130,0.0007504240074666446,0.00024028286640694947 -0,As86,0.007530853109411963,0.0012075744991579226 +0,Nb109,7.88983343419521e-07,5.107565439201369e-07 +0,Mn66,6.655518826857629e-13,4.2610692861297763e-13 +0,Rh117,2.8295020956669455e-06,1.830822599340433e-06 +0,Zn82,2.771673511602564e-08,1.7743042631341e-08 +0,Br94,1.6762904511295412e-07,7.191125971061841e-08 +0,Ag121,2.9423438877042655e-05,6.782638152263887e-06 +0,Rb95,0.004200951430903458,0.00016950163109824418 +0,In130,0.0003857319664548173,0.000123943112120239 +0,Cs145,0.0006355274411476929,5.126256105963185e-05 +0,Sb137,0.0005427555540168058,0.00034839703725773376 +0,Cu76,7.654700644838209e-07,4.89994935053447e-07 +0,Cs142,0.06613169119864251,0.0019313045989540058 0,Cd131,1.6498285386895556e-05,1.0971826457656248e-05 -0,Co68,6.601310844694813e-09,4.402412939441261e-09 -0,Cu78,5.215724367629224e-08,3.3382222599188465e-08 -0,Y100,0.008276549571139545,0.005303570994417014 -0,Y102,0.001160584681813372,0.0007437797558208365 -0,Kr96,4.364244831171731e-05,2.8190989520563313e-05 -0,Rb93,0.2996834306275237,0.003367920311208731 -0,Ga87,1.0631661220993284e-11,6.960492428554583e-12 -0,Xe142,0.007743331503800041,0.00048157458817324694 -0,Rb98,5.527096275433348e-06,9.01044628678096e-07 -0,Co73,1.2975669601273333e-11,8.314778500833574e-12 -0,Se88,0.008544502042431373,0.001408648123210138 -0,Se89,0.0003091571977929548,5.416431830684488e-05 -0,Zn81,0.0,4.3136581722580003e-13 +0,Cu81,0.0,1.0560527699307212e-13 +0,Rb92,0.31261087987828934,0.004591801077109555 +0,Ga85,7.795363194920626e-10,4.990069129717847e-10 +0,Rh121,1.5164557102444936e-11,9.714194661189905e-12 0,Co75,1.4565138232033663e-13,9.345003274674601e-14 -0,Tc116,5.188571202287346e-12,3.33189373879173e-12 -0,Te136,0.34132057899864665,0.02736098317676223 -0,Sr98,0.007645467959227587,0.00045932516366720957 -0,Ni75,7.323372528038435e-09,4.687497256084892e-09 +0,Xe143,0.00019529177611405312,0.0001250080938850028 +0,Rh124,4.725950839695729e-16,3.0442189859384615e-16 +0,Tc111,2.0014349317259084e-05,1.2881345102134617e-05 +0,Ag123,1.1944649321536084e-06,7.651243199062325e-07 +0,Pd124,3.7019863485949556e-10,2.372217458008428e-10 +0,As87,0.00036818294751460675,0.00016780772408679878 0,Br89,0.06792754226016515,0.001932914778071556 -0,Rh120,4.585568533125004e-09,2.9398203427116496e-09 -0,In128,0.00017342602461845248,0.00011357606710445822 -0,Br92,0.00012920164217887197,8.286628407432986e-05 -0,In131,0.00011494101431046622,4.263004964864242e-05 -0,Nb110,2.0747348331392792e-08,1.3426086905162823e-08 -0,Sn134,0.00023028909079749946,0.00014755843921916248 -0,Rb97,9.25701478698446e-05,7.425855902497594e-06 -0,Kr94,0.0002647804306896804,2.9793987783497966e-05 -0,Ni76,1.6996561308209975e-09,1.087953610902291e-09 -0,Ba148,0.00019758856681687895,8.910159835759076e-05 -0,Ru119,6.538700303647901e-13,4.189027501084252e-13 -0,In127,0.0023617339432551077,0.00037845445094628576 -0,Sb140,3.5289705687383303e-10,2.2632103593149006e-10 -0,Ga85,7.795363194920626e-10,4.990069129717847e-10 -0,Ru116,7.204032621132696e-08,4.615491475404942e-08 -0,Cs146,3.551157316995138e-05,2.8430705796940017e-06 -0,I139,0.02557676017044232,0.002049857621947831 -0,Ru120,1.9669783535707376e-13,1.2618943289982543e-13 +0,As85,0.006385923241329832,0.004087052942348632 +0,Ge85,1.527860863755489e-05,9.78002035436031e-06 +0,Sn133,0.0028248721987417244,0.0012767870447695595 +0,I140,0.0013079556917011714,0.0003029140120803763 +0,Kr92,0.044467575090041615,0.001259998817673887 +0,Rb96,0.0005998289709035946,9.60190357301698e-05 +0,Rb100,2.557736004304032e-05,1.640021183690587e-05 +0,Rh116,8.88882689391125e-06,5.725201259232004e-06 +0,Cu77,3.0226735717333054e-07,1.9345571358880752e-07 +0,Co71,1.719565531576046e-10,1.102413410025453e-10 +0,Y105,7.107896400905744e-13,4.577030395959752e-13 +0,Rh118,1.501795966563806e-07,9.625853820899038e-08 +0,In134,6.057007252930621e-09,3.888102593770287e-09 0,La149,0.0012734964344613099,0.0008160025931179187 +0,Tc110,0.00020425329997826626,0.00013075984497201834 +0,Se89,0.0003091571977929548,5.416431830684488e-05 +0,Tc112,3.057937202150519e-06,1.9596478498852118e-06 +0,Tc115,1.0150427784062133e-10,6.501479533916107e-11 +0,In130_m1,0.0,7.718418468755954e-13 +0,Sb140,3.5289705687383303e-10,2.2632103593149006e-10 +0,Y102,0.001160584681813372,0.0007437797558208365 +0,Cu80,8.580905984779687e-11,5.5131237394039296e-11 +0,Co72,4.316455341538029e-11,2.7626476307438762e-11 +0,Zr105,0.0011130023199066896,0.0007138559918715706 +0,Sn137,5.9299277487929266e-08,3.822478353005186e-08 +0,Tc113,3.069835757365499e-07,1.9713293914484466e-07 +0,Nb107,9.580534966088189e-06,6.1425376124136135e-06 0,I137,1.0883961763943952,0.030794800061745477 -0,Sn136,8.176189789045641e-08,5.2339887724948564e-08 0,La148,0.006930350053677465,0.004450175420208555 -0,Zr105,0.0011130023199066896,0.0007138559918715706 -0,Br88,0.4182350835876028,0.011889346056616085 -0,Cs149,5.596810473738193e-10,3.5956861632494106e-10 -0,Cu74,1.678233042887488e-06,1.074168946877656e-06 -0,Cu77,3.0226735717333054e-07,1.9345571358880752e-07 +0,Sb135,0.0035076872390015163,0.00021150877058781378 +0,Ag122_m1,9.63651037951865e-07,6.621211007227925e-07 +0,Pd126,0.0,7.040351799538143e-14 +0,Cs144,0.0060419349417490924,0.00036380099713599243 +0,Mo109,0.0001598440145287702,0.00010247654411355591 +0,Nb110,1.6553735370792122e-08,1.0596704662813744e-08 +0,Sn134,0.00023028909079749946,0.00014755843921916248 +0,Sr99,0.0005169485789591427,5.6993893381608066e-05 +0,Zn79,1.7638454202646298e-05,7.999205611027386e-06 +0,Kr95,1.1824355389253705e-05,3.7965721162070583e-06 +0,I141,0.00024669366737070913,5.693382583511221e-05 +0,Ge84,0.00041289760100993265,9.508611509510198e-05 +0,Xe142,0.007743331503800041,0.00048157458817324694 +0,Co73,1.2975669601273333e-11,8.314778500833574e-12 +0,Zr106,4.2412204542549655e-09,2.7196693857483876e-09 +0,Rh122,2.1502581872957674e-13,1.3775448856729138e-13 0,Sn135,4.667252570206798e-06,1.4942059949110188e-06 -0,Nb104,0.005226687926615153,0.0033658464057414695 -0,Nb105,0.010629530360417892,0.0034110466375031484 +0,Y100,0.006445142857525688,0.0041251242411941775 +0,Ga83,8.586294753723365e-07,5.495296655754905e-07 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--git a/tests/integration/test-data/reference/test6/count_rate.csv b/tests/integration/test-data/reference/test6/count_rate.csv index 733b1a87..088d657d 100644 --- a/tests/integration/test-data/reference/test6/count_rate.csv +++ b/tests/integration/test-data/reference/test6/count_rate.csv @@ -1,801 +1,801 @@ times,counts,sigma counts -0.0,0.0225414565904688,0.004333535826663143 -0.01,0.0223443445099348,0.004267692187793066 -0.010147636193407446,0.022341471864793565,0.0042667365291869505 -0.010297452031375274,0.022338557906992185,0.004265767241661991 -0.010449479693346081,0.022335602058569715,0.004264784137902113 -0.010603751833847482,0.022332603733952548,0.00426378702822236 -0.01076030158950613,0.022329562339868173,0.004262775720544984 -0.010919162586165206,0.02232647727525817,0.004261750020375489 -0.011080368946107054,0.022323347931190774,0.004260709730778628 -0.011243955295382385,0.022320173690772962,0.004259654652354352 -0.011409956771247759,0.02231695392906179,0.004258584583213727 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667.7066396563914,1.2564085989681484e-07,6.1025257455490175e-09 677.5644063155661,1.111192802087136e-07,5.412191785001304e-09 -687.5677092892466,9.809832153638189e-08,4.791618442594697e-09 -697.7186972201808,8.644415306306624e-08,4.234728526311772e-09 -708.0195504728598,7.603256708707773e-08,3.735870945468199e-09 +687.5677092892466,9.809832153638189e-08,4.791618442594696e-09 +697.7186972201808,8.644415306306622e-08,4.234728526311772e-09 +708.0195504728598,7.603256708707773e-08,3.735870945468198e-09 718.4724816018461,6.674851343609951e-08,3.2898006902232613e-09 -729.0797358270158,5.848563649420256e-08,2.891658908886136e-09 -739.8435915158166,5.1145816607825894e-08,2.5369531556564994e-09 +729.0797358270158,5.848563649420256e-08,2.8916589088861358e-09 +739.8435915158166,5.1145816607825894e-08,2.5369531556565e-09 750.7663606726453,4.463871754424354e-08,2.221537877904013e-09 -761.8503894354524,3.8881341571280725e-08,1.941595208073456e-09 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895.1245542312367,7.390519445594785e-09,3.8533625870652503e-10 -908.3398324124604,6.268676281199737e-09,3.2831286468018935e-10 -921.7502159302336,5.3042158800359745e-09,2.790763842633134e-10 -935.3585852454767,4.4770857882119155e-09,2.3666297817787716e-10 +908.3398324124604,6.268676281199737e-09,3.283128646801894e-10 +921.7502159302336,5.304215880035975e-09,2.790763842633134e-10 +935.3585852454767,4.4770857882119155e-09,2.366629781778771e-10 949.1678633451382,3.769490874438506e-09,2.0021391655992676e-10 963.1810163700337,3.165679746611796e-09,1.68965990245511e-10 -977.4010542519522,2.65174629556042e-09,1.4224256932924244e-10 -991.8310313601726,2.215445884749154e-09,1.194452908693279e-10 +977.4010542519522,2.65174629556042e-09,1.4224256932924246e-10 +991.8310313601726,2.2154458847491538e-09,1.194452908693279e-10 1006.4740471575121,1.8460256512039322e-09,1.0004635521137359e-10 1021.3332468660842,1.5340683384270016e-09,8.358140836140348e-11 -1036.4118221428619,1.2713490463549853e-09,6.964298614971859e-11 +1036.4118221428619,1.2713490463549853e-09,6.96429861497186e-11 1051.7130117652264,1.0507042561246508e-09,5.7874494580334375e-11 1067.2401023266361,8.659124681369983e-10,4.796469974219497e-11 1082.9964289425639,7.115857801546952e-10,3.964269995095299e-11 1098.9853759668576,5.830717273900187e-10,3.2673352374617354e-11 -1115.2103777186774,4.763647081542698e-10,2.6853126251471367e-11 -1131.6749192201637,3.880263260297283e-10,2.2006354911543492e-11 -1148.382536944998,3.1511399205754146e-10,1.7981859139694054e-11 +1115.2103777186774,4.763647081542697e-10,2.6853126251471367e-11 +1131.6749192201637,3.880263260297283e-10,2.200635491154349e-11 +1148.382536944998,3.1511399205754146e-10,1.798185913969405e-11 1165.3368195780126,2.551171474678774e-10,1.4649914944558305e-11 1182.5414087860163,2.0590048837283543e-10,1.1899539498403378e-11 1200.0,1.656535979704816e-10,9.636069863807214e-12 diff --git a/tests/integration/test-data/reference/test6/emission_probability.csv b/tests/integration/test-data/reference/test6/emission_probability.csv index 7c78015b..787e5dc2 100644 --- a/tests/integration/test-data/reference/test6/emission_probability.csv +++ b/tests/integration/test-data/reference/test6/emission_probability.csv @@ -29,7 +29,8 @@ F22,4.23,0.04,0.055,0.055 F23,2.23,0.14,0.07,0.07 F24,0.382,0.016,0.029500000000000002,0.029500000000000002 F25,0.075,0.01,0.195,0.05 -F26,0.0022,0.0001,0.021599999999999998,0.019534584715319648 +F26,0.0082,0.0009,0.135,0.04 +F26_m1,0.0022,0.0001,0.021599999999999998,0.019534584715319648 F27,0.0057,0.0008,0.8,0.2 F29,0.00267,0.00021,0.6,0.4 Ne26,0.195,0.002,0.0013,0.0003 @@ -96,7 +97,7 @@ Ca52,4.6,0.3,0.01,0.01 Ca53,0.461,0.09,0.4,0.1 Sc54,0.526,0.015,0.16,0.09 Sc55,0.096,0.002,0.17,0.07 -Sc56,0.069,0.007,0.24,0.12 +Sc56_m1,0.069,0.007,0.24,0.12 V59,0.092,0.009,0.06,0.03 V61,0.0483,0.001,0.2,0.1 V63,0.0196,0.001,0.67,0.33 @@ -106,10 +107,12 @@ Mn66,0.0639,0.0011,0.05,0.013999999999999999 Mn68,0.0352,0.002,0.15,0.09 Mn69,0.0258,0.0028,0.4,0.2 Mn70,0.0199,0.0017,0.5,0.2 -Co68,1.6,0.3,0.06,0.03 -Co70,0.508,0.007,0.03,0.015 +Co68_m1,1.6,0.3,0.06,0.03 +Co70,0.113,0.007,0.03,0.015 +Co70_m1,0.508,0.007,0.03,0.015 Co71,0.08,0.003,0.188,0.08121576201698781 -Co72,0.0478,0.0005,0.074,0.03059411708155671 +Co72,0.0515,0.0003,0.074,0.03059411708155671 +Co72_m1,0.0478,0.0005,0.074,0.03059411708155671 Co73,0.0407,0.0013,0.26,0.09848857801796104 Co74,0.0314,0.0015,0.22999999999999998,0.1522366578718805 Co75,0.0265,0.0012,0.08,0.08 @@ -132,7 +135,8 @@ Zn82,0.1779,0.0025,0.69,0.07 Zn83,0.0997,0.003,0.71,0.29 Zn84,0.0536,0.0081,0.73,0.26 Ga79,2.852,0.01,0.00084,0.00029 -Ga80,1.3,0.2,0.0045000000000000005,0.0007000000000000001 +Ga80,1.9,0.1,0.0045000000000000005,0.0007000000000000001 +Ga80_m1,1.3,0.2,0.0045000000000000005,0.0007000000000000001 Ga81,1.217,0.004,0.125,0.008 Ga82,0.601,0.002,0.22699999999999998,0.02 Ga83,0.31,0.001,0.67,0.06 @@ -173,7 +177,8 @@ Rb94,2.704,0.015,0.1039,0.0022 Rb95,0.378,0.002,0.08800000000000001,0.004 Rb96,0.2016,0.001,0.141,0.008 Rb97,0.169,0.001,0.249,0.015 -Rb98,0.096,0.003,0.07204,0.009001088823025803 +Rb98,0.115,0.006,0.07204,0.009001088823025803 +Rb98_m1,0.096,0.003,0.07204,0.009001088823025803 Rb99,0.0578,0.0009,0.191,0.023 Rb100,0.051,0.002,0.059,0.012041594578792296 Rb101,0.0315,0.0045,0.28,0.05 @@ -184,11 +189,15 @@ Sr99,0.269,0.002,0.00096,0.00016 Sr100,0.2007,0.0013,0.0111,0.0021 Sr101,0.115,0.001,0.0252,0.0025 Sr102,0.072,0.008,0.055,0.02 -Y97,1.17,0.03,0.0003972,0.0003972 -Y98,2.32,0.08,0.03096,0.009216078341680914 +Y97,3.74,0.05,0.00057594,9.93e-05 +Y97_m1,1.17,0.03,0.0003972,0.0003972 +Y98,0.548,0.002,0.0033,0.0003 +Y98_m1,2.32,0.08,0.03096,0.009216078341680914 Y99,1.478,0.007,0.0197,0.003 -Y100,0.94,0.03,0.0051,0.0006 +Y100,0.732,0.005,0.0051,0.0006 +Y100_m1,0.94,0.03,0.0051,0.0006 Y101,0.432,0.012,0.019799999999999998,0.002 +Y102_m1,0.396,0.036,0.06,0.017 Y102,0.3,0.01,0.04,0.015 Y103,0.236,0.016,0.081,0.02 Y104,0.212,0.02,0.34,0.1 @@ -198,13 +207,15 @@ Zr104,0.92,0.028,0.005,0.005 Zr105,0.666,0.028,0.01,0.01 Zr106,0.175,0.007,0.035,0.035 Zr107,0.15,0.003,0.115,0.115 -Nb104,0.98,0.07,0.0005,0.0003 +Nb104,4.9,0.4,0.0006,0.0003 +Nb104_m1,0.98,0.07,0.0005,0.0003 Nb105,2.91,0.07,0.017,0.009000000000000001 Nb106,1.084,0.021,0.045,0.003 Nb107,0.287,0.011,0.07400000000000001,0.01 Nb108,0.192,0.006,0.063,0.005 Nb109,0.113,0.011,0.31,0.05 -Nb110,0.094,0.009,0.2,0.08 +Nb110,0.075,0.001,0.2,0.08 +Nb110_m1,0.094,0.009,0.2,0.08 Mo109,0.692,0.026,0.013000000000000001,0.006 Mo110,0.287,0.01,0.02,0.006999999999999999 Mo111,0.186,0.009,0.06,0.06 @@ -213,7 +224,8 @@ Tc110,0.911,0.014,0.0004,0.0002 Tc111,0.294,0.02,0.0085,0.002 Tc112,0.305,0.01,0.017,0.004 Tc113,0.152,0.008,0.021,0.003 -Tc114,0.1,0.02,0.006500000000000001,0.004 +Tc114,0.09,0.02,0.006500000000000001,0.004 +Tc114_m1,0.1,0.02,0.006500000000000001,0.004 Tc115,0.078,0.002,0.19,0.05 Tc116,0.057,0.003,0.17,0.07 Ru116,0.203,0.006,0.004,0.004 @@ -222,7 +234,8 @@ Ru118,0.099,0.003,0.023,0.023 Ru119,0.0692,0.002,0.06,0.05 Ru120,0.045,0.002,0.06,0.03 Ru121,0.03,0.003,0.13,0.04 -Rh116,0.57,0.05,0.00525,0.00525 +Rh116,0.69,0.05,0.00525,0.00525 +Rh116_m1,0.57,0.05,0.00525,0.00525 Rh117,0.42,0.04,0.038,0.038 Rh118,0.286,0.01,0.021,0.009000000000000001 Rh119,0.189,0.006,0.034,0.009000000000000001 @@ -239,36 +252,49 @@ Pd125,0.0641,0.0017,0.037000000000000005,0.004 Pd126,0.0488,0.0008,0.049,0.009000000000000001 Pd127,0.038,0.002,0.09,0.03 Pd128,0.036,0.005,0.1,0.07 -Ag120,0.44,0.05,3.1500000000000003e-06,3.1500000000000003e-06 +Ag120,0.94,0.1,5e-06,5e-06 +Ag120_m1,1.52,0.07,5e-06,5e-06 +Ag120_m2,0.44,0.05,3.1500000000000003e-06,3.1500000000000003e-06 Ag121,0.777,0.012,0.0008,0.00013 -Ag122,0.2,0.05,0.0009299999999999999,6e-05 +Ag122,0.529,0.019,0.0009281399999999999,5.988e-05 +Ag122_m1,0.2,0.05,0.0009299999999999999,6e-05 Ag123,0.3,0.008,0.0085,0.0015 -Ag124,0.144,0.02,0.006500000000000001,0.009000000000000001 -Ag125,0.159,0.021,0.046,0.01 -Ag126,0.1026,0.0014,0.038,0.002 +Ag124,0.191,0.028,0.0115,0.011000000000000001 +Ag124_m1,0.144,0.02,0.006500000000000001,0.009000000000000001 +Ag125,0.176,0.003,0.012,0.002 +Ag125_m1,0.159,0.021,0.046,0.01 +Ag126_m1,0.1026,0.0014,0.038,0.002 Ag127,0.0891,0.0009,0.055,0.002 Ag128,0.0659,0.0024,0.09300000000000001,0.005 Ag129,0.052,0.003,0.179,0.013999999999999999 -Cd127,0.36,0.04,0.006,0.006 +Cd127_m1,0.36,0.04,0.006,0.006 Cd128,0.2461,0.0021,0.0095,0.0095 Cd129,0.151,0.004,0.0184,0.0015 Cd130,0.1287,0.0023,0.03,0.002 Cd131,0.083,0.015,0.035,0.01 Cd132,0.084,0.005,0.6,0.15 -In127,3.618,0.032,0.006999999999999999,0.0006 -In128,0.72,0.1,0.00019199999999999998,3.6e-05 -In129,1.165,0.01,0.035393499999999994,0.0061814 -In130,0.535,0.006,0.00975,0.0015 -In131,0.32,0.06,0.11879999999999999,0.0693 +In127,1.087,0.011,0.00015,0.00015 +In127_m1,3.618,0.032,0.006999999999999999,0.0006 +In128,0.84,0.06,0.00019199999999999998,3.6e-05 +In128_m1,0.72,0.1,0.00019199999999999998,3.6e-05 +In129,0.607,0.006,0.0023,0.001 +In129_m1,1.165,0.01,0.035393499999999994,0.0061814 +In130,0.275,0.008,0.012,0.0029 +In130_m1,0.535,0.006,0.00975,0.0015 +In130_m2,0.535,0.006,0.00975,0.0015 +In131,0.266,0.008,0.011049999999999999,0.0027 +In131_m1,0.33,0.015,0.011049999999999999,0.0027 +In131_m2,0.32,0.06,0.11879999999999999,0.0693 In132,0.2013,0.0012,0.12300000000000001,0.004 -In133,0.167,0.011,0.93,0.03 +In133,0.162,0.002,0.9,0.03 +In133_m1,0.167,0.011,0.93,0.03 In134,0.121,0.006,1.07,0.05 Sn133,1.42,0.06,0.000294,2.3999999999999997e-05 Sn134,0.902,0.028,0.17,0.13 Sn135,0.516,0.005,0.21,0.03 Sn136,0.361,0.005,0.27,0.04 Sn137,0.221,0.017,0.5,0.1 -Sb134,9.97,0.1,0.0008799999999999999,3.6e-05 +Sb134_m1,9.97,0.1,0.0008799999999999999,3.6e-05 Sb135,1.668,0.01,0.2,0.028999999999999998 Sb136,0.924,0.014,0.2518,0.07300246571178264 Sb137,0.506,0.025,0.49,0.08 diff --git a/tests/integration/test-data/reference/test6/group_parameters.csv b/tests/integration/test-data/reference/test6/group_parameters.csv index a89f96ee..83496460 100644 --- a/tests/integration/test-data/reference/test6/group_parameters.csv +++ b/tests/integration/test-data/reference/test6/group_parameters.csv @@ -1,7 +1,7 @@ yield,sigma yield,half_life,sigma half_life -0.0005162901534403848,0.0,55.62467042504896,0.0 -0.002864501770157952,0.0,23.846979482961842,0.0 -0.001447419836816959,0.0,11.891823735756953,0.0 -0.0062191783496551,0.0,3.3402202687250897,0.0 -0.00637942325083527,0.0,1.1970997068732543,0.0 -0.005088589180538686,0.0,0.2516584132386145,0.0 +0.0005162918984856003,0.0,55.62465296410721,0.0 +0.002864771019369677,0.0,23.84650860822269,0.0 +0.0014471847819314463,0.0,11.889529589088033,0.0 +0.006105739898122469,0.0,3.356343295516046,0.0 +0.006286849352532197,0.0,1.1827383444309043,0.0 +0.005089588870204594,0.0,0.25162040090512916,0.0 diff --git a/tests/integration/test-data/reference/test6/half_life.csv b/tests/integration/test-data/reference/test6/half_life.csv index 7c78015b..787e5dc2 100644 --- a/tests/integration/test-data/reference/test6/half_life.csv +++ b/tests/integration/test-data/reference/test6/half_life.csv @@ -29,7 +29,8 @@ F22,4.23,0.04,0.055,0.055 F23,2.23,0.14,0.07,0.07 F24,0.382,0.016,0.029500000000000002,0.029500000000000002 F25,0.075,0.01,0.195,0.05 -F26,0.0022,0.0001,0.021599999999999998,0.019534584715319648 +F26,0.0082,0.0009,0.135,0.04 +F26_m1,0.0022,0.0001,0.021599999999999998,0.019534584715319648 F27,0.0057,0.0008,0.8,0.2 F29,0.00267,0.00021,0.6,0.4 Ne26,0.195,0.002,0.0013,0.0003 @@ -96,7 +97,7 @@ Ca52,4.6,0.3,0.01,0.01 Ca53,0.461,0.09,0.4,0.1 Sc54,0.526,0.015,0.16,0.09 Sc55,0.096,0.002,0.17,0.07 -Sc56,0.069,0.007,0.24,0.12 +Sc56_m1,0.069,0.007,0.24,0.12 V59,0.092,0.009,0.06,0.03 V61,0.0483,0.001,0.2,0.1 V63,0.0196,0.001,0.67,0.33 @@ -106,10 +107,12 @@ Mn66,0.0639,0.0011,0.05,0.013999999999999999 Mn68,0.0352,0.002,0.15,0.09 Mn69,0.0258,0.0028,0.4,0.2 Mn70,0.0199,0.0017,0.5,0.2 -Co68,1.6,0.3,0.06,0.03 -Co70,0.508,0.007,0.03,0.015 +Co68_m1,1.6,0.3,0.06,0.03 +Co70,0.113,0.007,0.03,0.015 +Co70_m1,0.508,0.007,0.03,0.015 Co71,0.08,0.003,0.188,0.08121576201698781 -Co72,0.0478,0.0005,0.074,0.03059411708155671 +Co72,0.0515,0.0003,0.074,0.03059411708155671 +Co72_m1,0.0478,0.0005,0.074,0.03059411708155671 Co73,0.0407,0.0013,0.26,0.09848857801796104 Co74,0.0314,0.0015,0.22999999999999998,0.1522366578718805 Co75,0.0265,0.0012,0.08,0.08 @@ -132,7 +135,8 @@ Zn82,0.1779,0.0025,0.69,0.07 Zn83,0.0997,0.003,0.71,0.29 Zn84,0.0536,0.0081,0.73,0.26 Ga79,2.852,0.01,0.00084,0.00029 -Ga80,1.3,0.2,0.0045000000000000005,0.0007000000000000001 +Ga80,1.9,0.1,0.0045000000000000005,0.0007000000000000001 +Ga80_m1,1.3,0.2,0.0045000000000000005,0.0007000000000000001 Ga81,1.217,0.004,0.125,0.008 Ga82,0.601,0.002,0.22699999999999998,0.02 Ga83,0.31,0.001,0.67,0.06 @@ -173,7 +177,8 @@ Rb94,2.704,0.015,0.1039,0.0022 Rb95,0.378,0.002,0.08800000000000001,0.004 Rb96,0.2016,0.001,0.141,0.008 Rb97,0.169,0.001,0.249,0.015 -Rb98,0.096,0.003,0.07204,0.009001088823025803 +Rb98,0.115,0.006,0.07204,0.009001088823025803 +Rb98_m1,0.096,0.003,0.07204,0.009001088823025803 Rb99,0.0578,0.0009,0.191,0.023 Rb100,0.051,0.002,0.059,0.012041594578792296 Rb101,0.0315,0.0045,0.28,0.05 @@ -184,11 +189,15 @@ Sr99,0.269,0.002,0.00096,0.00016 Sr100,0.2007,0.0013,0.0111,0.0021 Sr101,0.115,0.001,0.0252,0.0025 Sr102,0.072,0.008,0.055,0.02 -Y97,1.17,0.03,0.0003972,0.0003972 -Y98,2.32,0.08,0.03096,0.009216078341680914 +Y97,3.74,0.05,0.00057594,9.93e-05 +Y97_m1,1.17,0.03,0.0003972,0.0003972 +Y98,0.548,0.002,0.0033,0.0003 +Y98_m1,2.32,0.08,0.03096,0.009216078341680914 Y99,1.478,0.007,0.0197,0.003 -Y100,0.94,0.03,0.0051,0.0006 +Y100,0.732,0.005,0.0051,0.0006 +Y100_m1,0.94,0.03,0.0051,0.0006 Y101,0.432,0.012,0.019799999999999998,0.002 +Y102_m1,0.396,0.036,0.06,0.017 Y102,0.3,0.01,0.04,0.015 Y103,0.236,0.016,0.081,0.02 Y104,0.212,0.02,0.34,0.1 @@ -198,13 +207,15 @@ Zr104,0.92,0.028,0.005,0.005 Zr105,0.666,0.028,0.01,0.01 Zr106,0.175,0.007,0.035,0.035 Zr107,0.15,0.003,0.115,0.115 -Nb104,0.98,0.07,0.0005,0.0003 +Nb104,4.9,0.4,0.0006,0.0003 +Nb104_m1,0.98,0.07,0.0005,0.0003 Nb105,2.91,0.07,0.017,0.009000000000000001 Nb106,1.084,0.021,0.045,0.003 Nb107,0.287,0.011,0.07400000000000001,0.01 Nb108,0.192,0.006,0.063,0.005 Nb109,0.113,0.011,0.31,0.05 -Nb110,0.094,0.009,0.2,0.08 +Nb110,0.075,0.001,0.2,0.08 +Nb110_m1,0.094,0.009,0.2,0.08 Mo109,0.692,0.026,0.013000000000000001,0.006 Mo110,0.287,0.01,0.02,0.006999999999999999 Mo111,0.186,0.009,0.06,0.06 @@ -213,7 +224,8 @@ Tc110,0.911,0.014,0.0004,0.0002 Tc111,0.294,0.02,0.0085,0.002 Tc112,0.305,0.01,0.017,0.004 Tc113,0.152,0.008,0.021,0.003 -Tc114,0.1,0.02,0.006500000000000001,0.004 +Tc114,0.09,0.02,0.006500000000000001,0.004 +Tc114_m1,0.1,0.02,0.006500000000000001,0.004 Tc115,0.078,0.002,0.19,0.05 Tc116,0.057,0.003,0.17,0.07 Ru116,0.203,0.006,0.004,0.004 @@ -222,7 +234,8 @@ Ru118,0.099,0.003,0.023,0.023 Ru119,0.0692,0.002,0.06,0.05 Ru120,0.045,0.002,0.06,0.03 Ru121,0.03,0.003,0.13,0.04 -Rh116,0.57,0.05,0.00525,0.00525 +Rh116,0.69,0.05,0.00525,0.00525 +Rh116_m1,0.57,0.05,0.00525,0.00525 Rh117,0.42,0.04,0.038,0.038 Rh118,0.286,0.01,0.021,0.009000000000000001 Rh119,0.189,0.006,0.034,0.009000000000000001 @@ -239,36 +252,49 @@ Pd125,0.0641,0.0017,0.037000000000000005,0.004 Pd126,0.0488,0.0008,0.049,0.009000000000000001 Pd127,0.038,0.002,0.09,0.03 Pd128,0.036,0.005,0.1,0.07 -Ag120,0.44,0.05,3.1500000000000003e-06,3.1500000000000003e-06 +Ag120,0.94,0.1,5e-06,5e-06 +Ag120_m1,1.52,0.07,5e-06,5e-06 +Ag120_m2,0.44,0.05,3.1500000000000003e-06,3.1500000000000003e-06 Ag121,0.777,0.012,0.0008,0.00013 -Ag122,0.2,0.05,0.0009299999999999999,6e-05 +Ag122,0.529,0.019,0.0009281399999999999,5.988e-05 +Ag122_m1,0.2,0.05,0.0009299999999999999,6e-05 Ag123,0.3,0.008,0.0085,0.0015 -Ag124,0.144,0.02,0.006500000000000001,0.009000000000000001 -Ag125,0.159,0.021,0.046,0.01 -Ag126,0.1026,0.0014,0.038,0.002 +Ag124,0.191,0.028,0.0115,0.011000000000000001 +Ag124_m1,0.144,0.02,0.006500000000000001,0.009000000000000001 +Ag125,0.176,0.003,0.012,0.002 +Ag125_m1,0.159,0.021,0.046,0.01 +Ag126_m1,0.1026,0.0014,0.038,0.002 Ag127,0.0891,0.0009,0.055,0.002 Ag128,0.0659,0.0024,0.09300000000000001,0.005 Ag129,0.052,0.003,0.179,0.013999999999999999 -Cd127,0.36,0.04,0.006,0.006 +Cd127_m1,0.36,0.04,0.006,0.006 Cd128,0.2461,0.0021,0.0095,0.0095 Cd129,0.151,0.004,0.0184,0.0015 Cd130,0.1287,0.0023,0.03,0.002 Cd131,0.083,0.015,0.035,0.01 Cd132,0.084,0.005,0.6,0.15 -In127,3.618,0.032,0.006999999999999999,0.0006 -In128,0.72,0.1,0.00019199999999999998,3.6e-05 -In129,1.165,0.01,0.035393499999999994,0.0061814 -In130,0.535,0.006,0.00975,0.0015 -In131,0.32,0.06,0.11879999999999999,0.0693 +In127,1.087,0.011,0.00015,0.00015 +In127_m1,3.618,0.032,0.006999999999999999,0.0006 +In128,0.84,0.06,0.00019199999999999998,3.6e-05 +In128_m1,0.72,0.1,0.00019199999999999998,3.6e-05 +In129,0.607,0.006,0.0023,0.001 +In129_m1,1.165,0.01,0.035393499999999994,0.0061814 +In130,0.275,0.008,0.012,0.0029 +In130_m1,0.535,0.006,0.00975,0.0015 +In130_m2,0.535,0.006,0.00975,0.0015 +In131,0.266,0.008,0.011049999999999999,0.0027 +In131_m1,0.33,0.015,0.011049999999999999,0.0027 +In131_m2,0.32,0.06,0.11879999999999999,0.0693 In132,0.2013,0.0012,0.12300000000000001,0.004 -In133,0.167,0.011,0.93,0.03 +In133,0.162,0.002,0.9,0.03 +In133_m1,0.167,0.011,0.93,0.03 In134,0.121,0.006,1.07,0.05 Sn133,1.42,0.06,0.000294,2.3999999999999997e-05 Sn134,0.902,0.028,0.17,0.13 Sn135,0.516,0.005,0.21,0.03 Sn136,0.361,0.005,0.27,0.04 Sn137,0.221,0.017,0.5,0.1 -Sb134,9.97,0.1,0.0008799999999999999,3.6e-05 +Sb134_m1,9.97,0.1,0.0008799999999999999,3.6e-05 Sb135,1.668,0.01,0.2,0.028999999999999998 Sb136,0.924,0.014,0.2518,0.07300246571178264 Sb137,0.506,0.025,0.49,0.08 diff --git a/tests/integration/test-data/reference/test8/group_parameters.csv b/tests/integration/test-data/reference/test8/group_parameters.csv index 3efc07d9..bc4c1123 100644 --- a/tests/integration/test-data/reference/test8/group_parameters.csv +++ b/tests/integration/test-data/reference/test8/group_parameters.csv @@ -1,7 +1,7 @@ yield,sigma yield,half_life,sigma half_life -0.0009100395326769202,0.0,100.0000000000649,0.0 -0.0004806643249881117,0.0,55.640000000124424,0.0 -9.354688200402845e-18,0.0,33.65085319140761,0.0 -2.28638860356823e-16,0.0,6.524085750903932,0.0 -5.762666889603597e-16,0.0,0.005541487043934733,0.0 -2.4613834619908486e-15,0.0,0.0010996695518215283,0.0 +3.456554019171124e-18,0.0,809.6667196702095,0.0 +0.0009100395326799122,0.0,99.99999999999302,0.0 +0.00048066432498543305,0.0,55.63999999994391,0.0 +8.340483274520027e-18,0.0,7.658912731435805,0.0 +9.51551153689195e-17,0.0,0.04037307607621659,0.0 +1.624679817821058e-17,0.0,0.002240913265619474,0.0 From 5dd5dd66acf6902263f3d5231a655cc57fedb990 Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Mon, 6 Apr 2026 09:51:46 -0500 Subject: [PATCH 145/259] Refine test --- tests/unit/test_groupfit.py | 6 +++--- 1 file changed, 3 insertions(+), 3 deletions(-) diff --git a/tests/unit/test_groupfit.py b/tests/unit/test_groupfit.py index 5345d360..f438dddb 100644 --- a/tests/unit/test_groupfit.py +++ b/tests/unit/test_groupfit.py @@ -37,7 +37,7 @@ def run_grouper_fit_test(irrad_type: str, grouper: Grouper, num_groups = len(half_lives) grouper.num_groups = num_groups lams = np.log(2)/half_lives - times = np.linspace(0, 600, 100) + times = np.geomspace(1e-4, 600, 300) counts = np.zeros(len(times)) fission_times = np.linspace(0, grouper.t_net, 10000) dt = np.diff(fission_times)[0] @@ -157,9 +157,9 @@ def run_grouper_fit_test(irrad_type: str, grouper: Grouper, for group in range(grouper.num_groups): assert np.isclose(test_yields[group], sorted_original_yields[group], rtol=1e-1, atol=1e-1), \ - f'Group {group+1} yields mismatch - {test_yields[group]=} != {sorted_original_yields[group]=}' + f'Group {group+1} yields mismatch - {test_yields=} != {sorted_original_yields=}' assert np.isclose(test_half_lives[group], sorted_original_half_lives[group], rtol=1e-1, atol=1e-1), \ - f'Group {group+1} half lives mismatch - {test_half_lives[group]=} != {sorted_original_half_lives[group]=}' + f'Group {group+1} half lives mismatch - {test_half_lives=} != {sorted_original_half_lives=}' return None def test_grouper_pulse_fitting(): From 9cd811bed210ab399054dff89fae70025b2dcb44 Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Thu, 9 Apr 2026 09:50:53 -0500 Subject: [PATCH 146/259] Add minimum of 1 to samples --- mosden/templates/input_schema.json | 3 ++- 1 file changed, 2 insertions(+), 1 deletion(-) diff --git a/mosden/templates/input_schema.json b/mosden/templates/input_schema.json index b83afd22..eead8e1c 100644 --- a/mosden/templates/input_schema.json +++ b/mosden/templates/input_schema.json @@ -329,7 +329,8 @@ }, "samples": { "type": "integer", - "description": "The number of group parameter evaluations with sampled data (for unceratinties and sensitivities)" + "description": "The number of group parameter evaluations with sampled data (for unceratinties and sensitivities)", + "minimum": 1 }, "sample_func": { "type": "string", From 05d1eb0c236e108444815333bdc777fd403e0b1b Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Thu, 9 Apr 2026 10:04:21 -0500 Subject: [PATCH 147/259] Change least squares to use chi-squared if there is only a single sample --- mosden/groupfit.py | 48 +++++++++++++++++++++++++++++----------- mosden/postprocessing.py | 2 +- 2 files changed, 36 insertions(+), 14 deletions(-) diff --git a/mosden/groupfit.py b/mosden/groupfit.py index 207a8356..13f033ee 100644 --- a/mosden/groupfit.py +++ b/mosden/groupfit.py @@ -53,9 +53,10 @@ def _residual_function( parameters: np.ndarray[float], times: np.ndarray[float], counts: np.ndarray[float], - count_err: np.ndarray[float], + residual_denom: np.ndarray[float], irrad_counts: np.ndarray[float], irrad_times: np.ndarray[float], + irrad_denom: np.ndarray[float], fit_func: Callable) -> float: """ Calculate the residual of the current set of parameters @@ -68,12 +69,16 @@ def _residual_function( List of times counts : np.ndarray[float] List of delayed neutron counts - count_err : np.ndarray[float] - List of count errors + residual_denom : np.ndarray[float] + List of count errors for chi-square measure or list of counts for + relative residual irrad_counts : np.ndarray[float] List of delayed neutron counts during irradiation irrad_times : np.ndarray[float] List of times during irradiation + irrad_denom : np.ndarray[float] + List of count errors for chi-square measure or list of counts for + relative residual during irradiation fit_func : Callable Function that takes times and parameters to return list of counts @@ -84,9 +89,9 @@ def _residual_function( """ irrad_residual = [] if len(irrad_times) != 0: - irrad_residual = ((irrad_counts - self._get_irrad_counts(irrad_times, parameters)) / (irrad_counts)) + irrad_residual = ((irrad_counts - self._get_irrad_counts(irrad_times, parameters)) / (irrad_denom)) irrad_residual = np.nan_to_num(irrad_residual) - post_residual = (counts - fit_func(times, parameters)) / (counts) + post_residual = (counts - fit_func(times, parameters)) / (residual_denom) residual = np.concatenate((irrad_residual, post_residual)) return residual @@ -452,7 +457,8 @@ def _get_fit_func(self) -> Callable: def _get_modified_counts_and_times(self, times: np.ndarray[float], - counts: np.ndarray[float]) -> tuple[np.ndarray[float], np.ndarray[float], np.ndarray[float], np.ndarray[float]]: + counts: np.ndarray[float], + count_errs: np.ndarray[float]) -> tuple[np.ndarray[float], np.ndarray[float], np.ndarray[float], np.ndarray[float]]: """ Gets the counts and times during and post irradiation @@ -462,6 +468,8 @@ def _get_modified_counts_and_times(self, times: np.ndarray[float], Times post-irradiation counts : np.ndarray[float] Counts post-irradiation + count_err : np.ndarray[float] + The errors in the delayed neutron count rate Returns ------- @@ -469,28 +477,35 @@ def _get_modified_counts_and_times(self, times: np.ndarray[float], Post-irradiation times counts : np.ndarray[float] Post-irradiation counts + count_errs: np.ndarray[float] + Post-irradiation count errors irrad_times : np.ndarray[float] Mid-irradiation times irrad_counts : np.ndarray[float] Mid-irradiation counts + irrad_count_errs: np.ndarray[float] + Mid-irradiation count errors """ post_irrad_index = self.get_irrad_index(False) full_data = self._get_times_and_rates() if self.post_irrad_only: - return times, counts, np.array([]), np.array([]) + return times, counts, count_errs, np.array([]), np.array([]), np.array([]) irrad_mask = np.asarray(full_data['irrad_mask']) irrad_times = np.cumsum(full_data['timesteps'][:post_irrad_index]) * irrad_mask irrad_counts = np.asarray(counts[1:post_irrad_index+1]) * irrad_mask + irrad_count_errs = np.asarray(count_errs[1:post_irrad_index+1]) * irrad_mask if self.no_post_irrad: counts = np.asarray([]) + count_errs = np.asarray([]) times = np.asarray([]) else: counts = counts[post_irrad_index+1:] + count_errs = count_errs[post_irrad_index+1:] times = np.asarray(times[post_irrad_index+1:]) - times[post_irrad_index] - return times, counts, irrad_times, irrad_counts + return times, counts, count_errs, irrad_times, irrad_counts, irrad_count_errs def _nonlinear_least_squares(self, @@ -567,7 +582,13 @@ def _nonlinear_least_squares(self, x0 = np.concatenate((np.ones(self.num_groups) * y_noise, np.ones(self.num_groups) * hl_noise)) starts.append(x0) - times, counts, irrad_times, irrad_counts = self._get_modified_counts_and_times(times, counts) + times, counts, count_err, irrad_times, irrad_counts, irrad_err = self._get_modified_counts_and_times(times, counts, count_err) + if self.MC_samples == 1: + residual_denom = count_err + irrad_denom = irrad_err + else: + residual_denom = counts + irrad_denom = irrad_counts best = None for x0 in tqdm(starts): @@ -582,7 +603,7 @@ def _nonlinear_least_squares(self, xtol=1e-12, verbose=0, max_nfev=1e6, - args=(times, counts, count_err, irrad_counts, irrad_times, fit_function)) + args=(times, counts, residual_denom, irrad_counts, irrad_times, irrad_denom, fit_function)) except LinAlgError: continue if best is None or result.cost < best.cost: @@ -597,7 +618,7 @@ def _nonlinear_least_squares(self, self.logger.info(f'{np.diag(cov) = }') sigma = np.sqrt(np.diag(cov)) self.logger.info(f'{sigma = }') - residual = np.linalg.norm(self._residual_function(result.x, times, counts, count_err, irrad_counts, irrad_times, fit_function)) + residual = np.linalg.norm(self._residual_function(result.x, times, counts, residual_denom, irrad_counts, irrad_times, irrad_denom, fit_function)) self.logger.info(f'{residual = }') self.logger.info(result) sampled_params: list[float] = list() @@ -616,7 +637,7 @@ def _nonlinear_least_squares(self, post_data_save.append(post_data) count_sample = data['counts'] count_sample_err = data['sigma counts'] - times, counts, irrad_times, irrad_counts = self._get_modified_counts_and_times(times, count_sample) + times, counts, count_err, irrad_times, irrad_counts, irrad_err = self._get_modified_counts_and_times(times, count_sample, count_sample_err) result = least_squares( self._residual_function, @@ -631,9 +652,10 @@ def _nonlinear_least_squares(self, args=( times, count_sample, - count_sample_err, + count_sample, irrad_counts, irrad_times, + irrad_counts, fit_function)) tracked_counts.append([i for i in count_sample]) sorted_params = self._sort_params_by_half_life(result.x) diff --git a/mosden/postprocessing.py b/mosden/postprocessing.py index 28e201d5..e0080955 100644 --- a/mosden/postprocessing.py +++ b/mosden/postprocessing.py @@ -148,7 +148,7 @@ def compare_counts(self) -> None: parameters = group_data['yield'] + group_data['half_life'] parameters = grouper._restructure_intermediate_yields(parameters, False) fit_func = grouper._get_fit_func() - times, counts, irrad_times, irrad_counts = grouper._get_modified_counts_and_times(times, counts) + times, counts, _, irrad_times, irrad_counts, _ = grouper._get_modified_counts_and_times(times, counts, count_errs) irrad_fit_counts = grouper._get_irrad_counts(irrad_times, parameters) post_irrad_fit_counts = fit_func(times, parameters) From d38b123625b84f92a44e118823b81bf1885d1443 Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Thu, 9 Apr 2026 11:51:16 -0500 Subject: [PATCH 148/259] Add correlation matrix plotting during least squares solve --- mosden/groupfit.py | 52 +++++++++++++++++++++++++++++++++++++++------- 1 file changed, 45 insertions(+), 7 deletions(-) diff --git a/mosden/groupfit.py b/mosden/groupfit.py index 13f033ee..14e8752a 100644 --- a/mosden/groupfit.py +++ b/mosden/groupfit.py @@ -10,6 +10,10 @@ from tqdm import tqdm from scipy.linalg import svd, LinAlgError from typing import Callable +import seaborn as sns +import matplotlib.pyplot as plt +from matplotlib.colors import LogNorm +plt.style.use('mosden.plotting') class Grouper(BaseClass): @@ -506,6 +510,26 @@ def _get_modified_counts_and_times(self, times: np.ndarray[float], times = np.asarray(times[post_irrad_index+1:]) - times[post_irrad_index] return times, counts, count_errs, irrad_times, irrad_counts, irrad_count_errs + + def _plot_correlation_heatmap(self, correlation_matrix: np.ndarray[float]) -> None: + """ + Plot the correlation matrix from the nominal least squares solve + + Parameters + ---------- + correlation_matrix : np.ndarray[float] + Two dimensional correlation matrix + """ + num_groups = int(len(correlation_matrix) / 2) + yticklabels = [fr'$\nu_{{d, {i+1}}}$' for i in range(num_groups)] + [fr'$\tau_{i+1}$' for i in range(num_groups)] + xticklabels = yticklabels + + ax = sns.heatmap(correlation_matrix, yticklabels=yticklabels, xticklabels=xticklabels, cmap='PuOr', vmin=-1, vmax=1) + ax.set_xticklabels(ax.get_xticklabels(), rotation=45, ha='right') + ax.invert_yaxis() + plt.savefig(f'{self.img_dir}correlation_heatmap.png') + plt.close() + def _nonlinear_least_squares(self, @@ -610,6 +634,17 @@ def _nonlinear_least_squares(self, best = result result = best J = result.jac + sampled_params: list[float] = list() + tracked_counts: list[float] = list() + + sorted_params = self._sort_params_by_half_life(result.x) + sorted_params = self._restructure_intermediate_yields(sorted_params) + sampled_params.append(sorted_params) + + sort_idx = np.array([np.argmin(np.abs(result.x[self.num_groups:] - hl)) for hl in sorted_params[self.num_groups:]]) + perm = np.concatenate([sort_idx, sort_idx + self.num_groups]) + J = J[:, perm] + s = svd(J, compute_uv=False) self.logger.info(f'{s = }') condition_number = s[0] / s[-1] @@ -618,14 +653,13 @@ def _nonlinear_least_squares(self, self.logger.info(f'{np.diag(cov) = }') sigma = np.sqrt(np.diag(cov)) self.logger.info(f'{sigma = }') + D_inv = np.diag(1/sigma) + corr_matrix = D_inv @ cov @ D_inv residual = np.linalg.norm(self._residual_function(result.x, times, counts, residual_denom, irrad_counts, irrad_times, irrad_denom, fit_function)) self.logger.info(f'{residual = }') self.logger.info(result) - sampled_params: list[float] = list() - tracked_counts: list[float] = list() - sorted_params = self._sort_params_by_half_life(result.x) - sorted_params = self._restructure_intermediate_yields(sorted_params) - sampled_params.append(sorted_params) + + self._plot_correlation_heatmap(corr_matrix) countrate = CountRate(self.input_path) self.logger.info(f'Currently using {self.sample_func} sampling') post_data_save = [] @@ -704,9 +738,13 @@ def _nonlinear_least_squares(self, for group in range(self.num_groups): data[group] = dict() data[group]['yield'] = np.mean(yields[group]) - data[group]['sigma yield'] = np.std(yields[group]) data[group]['half_life'] = np.mean(half_lives[group]) - data[group]['sigma half_life'] = np.std(half_lives[group]) + if len(sampled_params) == 1: + data[group]['sigma yield'] = sigma[:self.num_groups][group] + data[group]['sigma half_life'] = sigma[self.num_groups:][group] + else: + data[group]['sigma yield'] = np.std(yields[group]) + data[group]['sigma half_life'] = np.std(half_lives[group]) return data def _sort_params_by_half_life( From 6f7f264a2420b5d547cbcc472fc6b007c032ce08 Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Thu, 9 Apr 2026 11:51:33 -0500 Subject: [PATCH 149/259] Increase default initial parameter guess to 50 attempts --- mosden/utils/defaults.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/mosden/utils/defaults.py b/mosden/utils/defaults.py index 13d5c3fd..2dfd752f 100644 --- a/mosden/utils/defaults.py +++ b/mosden/utils/defaults.py @@ -77,7 +77,7 @@ "group_options": { "num_groups": 6, "method": "nlls", - "parameter_guesses": 10, + "parameter_guesses": 50, "initial_params": { "yields": [], "half_lives": [] From 10e5e307ee48524268dd1b77d9c04bce9700e6a5 Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Thu, 9 Apr 2026 13:07:23 -0500 Subject: [PATCH 150/259] Add warning about uncertainty model --- mosden/groupfit.py | 3 ++- 1 file changed, 2 insertions(+), 1 deletion(-) diff --git a/mosden/groupfit.py b/mosden/groupfit.py index 14e8752a..3c7a0e60 100644 --- a/mosden/groupfit.py +++ b/mosden/groupfit.py @@ -531,7 +531,6 @@ def _plot_correlation_heatmap(self, correlation_matrix: np.ndarray[float]) -> No plt.close() - def _nonlinear_least_squares(self, count_data: dict[str: np.ndarray[float]] = None, set_refined_fiss: bool = True @@ -607,7 +606,9 @@ def _nonlinear_least_squares(self, starts.append(x0) times, counts, count_err, irrad_times, irrad_counts, irrad_err = self._get_modified_counts_and_times(times, counts, count_err) + if self.MC_samples == 1: + self.logger.warning('Existing deterministic uncertainty estimation is inaccurate') residual_denom = count_err irrad_denom = irrad_err else: From 5ba1f1c33d49c7ad8c9a2ca057809dacc3ef35e1 Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Thu, 9 Apr 2026 14:07:40 -0500 Subject: [PATCH 151/259] Fix irrad time bug --- mosden/groupfit.py | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/mosden/groupfit.py b/mosden/groupfit.py index 3c7a0e60..ef71f15d 100644 --- a/mosden/groupfit.py +++ b/mosden/groupfit.py @@ -525,7 +525,6 @@ def _plot_correlation_heatmap(self, correlation_matrix: np.ndarray[float]) -> No xticklabels = yticklabels ax = sns.heatmap(correlation_matrix, yticklabels=yticklabels, xticklabels=xticklabels, cmap='PuOr', vmin=-1, vmax=1) - ax.set_xticklabels(ax.get_xticklabels(), rotation=45, ha='right') ax.invert_yaxis() plt.savefig(f'{self.img_dir}correlation_heatmap.png') plt.close() @@ -605,6 +604,7 @@ def _nonlinear_least_squares(self, x0 = np.concatenate((np.ones(self.num_groups) * y_noise, np.ones(self.num_groups) * hl_noise)) starts.append(x0) + times_original = times.copy() times, counts, count_err, irrad_times, irrad_counts, irrad_err = self._get_modified_counts_and_times(times, counts, count_err) if self.MC_samples == 1: @@ -672,7 +672,7 @@ def _nonlinear_least_squares(self, post_data_save.append(post_data) count_sample = data['counts'] count_sample_err = data['sigma counts'] - times, counts, count_err, irrad_times, irrad_counts, irrad_err = self._get_modified_counts_and_times(times, count_sample, count_sample_err) + times, counts, count_err, irrad_times, irrad_counts, irrad_err = self._get_modified_counts_and_times(times_original, count_sample, count_sample_err) result = least_squares( self._residual_function, From 9141c75077eed9359fb30173df295d348921290c Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Fri, 10 Apr 2026 09:26:17 -0500 Subject: [PATCH 152/259] Clean up group fit minor bugs --- mosden/groupfit.py | 16 ++++++++++------ 1 file changed, 10 insertions(+), 6 deletions(-) diff --git a/mosden/groupfit.py b/mosden/groupfit.py index ef71f15d..dc9eb7cc 100644 --- a/mosden/groupfit.py +++ b/mosden/groupfit.py @@ -12,7 +12,7 @@ from typing import Callable import seaborn as sns import matplotlib.pyplot as plt -from matplotlib.colors import LogNorm +import os plt.style.use('mosden.plotting') @@ -520,6 +520,8 @@ def _plot_correlation_heatmap(self, correlation_matrix: np.ndarray[float]) -> No correlation_matrix : np.ndarray[float] Two dimensional correlation matrix """ + if not os.path.exists(self.img_dir): + os.makedirs(self.img_dir) num_groups = int(len(correlation_matrix) / 2) yticklabels = [fr'$\nu_{{d, {i+1}}}$' for i in range(num_groups)] + [fr'$\tau_{i+1}$' for i in range(num_groups)] xticklabels = yticklabels @@ -637,6 +639,7 @@ def _nonlinear_least_squares(self, J = result.jac sampled_params: list[float] = list() tracked_counts: list[float] = list() + nominal_x = result.x.copy() sorted_params = self._sort_params_by_half_life(result.x) sorted_params = self._restructure_intermediate_yields(sorted_params) @@ -676,23 +679,24 @@ def _nonlinear_least_squares(self, result = least_squares( self._residual_function, - result.x, + nominal_x, bounds=bounds, method='trf', + x_scale='jac', ftol=1e-12, gtol=1e-12, xtol=1e-12, verbose=0, - max_nfev=1e3, + max_nfev=1e6, args=( times, - count_sample, - count_sample, + counts, + counts, irrad_counts, irrad_times, irrad_counts, fit_function)) - tracked_counts.append([i for i in count_sample]) + tracked_counts.append([i for i in counts]) sorted_params = self._sort_params_by_half_life(result.x) sorted_params = self._restructure_intermediate_yields(sorted_params) sampled_params.append(sorted_params) From 8a0798db8534da73ccc8db5b0bcb06c39d47f516 Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Fri, 10 Apr 2026 12:37:40 -0500 Subject: [PATCH 153/259] Add nominal debugging option --- mosden/countrate.py | 2 ++ mosden/groupfit.py | 6 +++++- mosden/postprocessing.py | 6 ++++++ mosden/templates/input_schema.json | 2 +- 4 files changed, 14 insertions(+), 2 deletions(-) diff --git a/mosden/countrate.py b/mosden/countrate.py index 2abbc80c..684c66fa 100644 --- a/mosden/countrate.py +++ b/mosden/countrate.py @@ -159,6 +159,8 @@ def sample_parameter(val: ufloat, dist: str) -> float: return np.random.normal(val.n, val.s) elif dist == 'uniform': return np.random.uniform(val.n - val.s, val.n + val.s) + elif dist == 'nominal': + return val.n else: raise NotImplementedError(f'{dist} sampling not implemented') diff --git a/mosden/groupfit.py b/mosden/groupfit.py index dc9eb7cc..fc9c2bf4 100644 --- a/mosden/groupfit.py +++ b/mosden/groupfit.py @@ -715,7 +715,11 @@ def _nonlinear_least_squares(self, self.post_data['concMC'] = list() for post_data_vals in post_data_save: for key in self.post_data.keys(): - self.post_data[key].append(post_data_vals[key]) + try: + self.post_data[key].append(post_data_vals[key]) + except KeyError: + # Running with pre-existing post data + pass self.save_postproc() yields = np.zeros((self.num_groups, self.MC_samples)) diff --git a/mosden/postprocessing.py b/mosden/postprocessing.py index e0080955..8d609beb 100644 --- a/mosden/postprocessing.py +++ b/mosden/postprocessing.py @@ -252,6 +252,12 @@ def _chart_form(self, name: str, data: dict, cbar_label: str, vmin: float=1e-1, continue vmin_use = 10 ** np.floor(np.log10(vmin)) vmax_use = 10 ** np.ceil(np.log10(vmax)) + if vmin_use == vmax_use: + if vmin_use == 0.0: + vmin_use = 0.1 + vmax_use = 1.0 + vmin_use = 0.1 * vmin_use + vmax_use = 10 * vmax_use norm = LogNorm(vmin=vmin_use, vmax=vmax_use) plt.scatter(N, Z, c=C, norm=norm, marker="s", s=60) plt.set_cmap('viridis') diff --git a/mosden/templates/input_schema.json b/mosden/templates/input_schema.json index eead8e1c..20d1fde3 100644 --- a/mosden/templates/input_schema.json +++ b/mosden/templates/input_schema.json @@ -335,7 +335,7 @@ "sample_func": { "type": "string", "description": "The function type to use for randomly sampling data", - "enum": ["normal", "uniform"] + "enum": ["normal", "uniform", "nominal"] }, "initial_params": { "type": "object", From 48d86bb7c5f33f08d219a82f1649f7227f0a9d6a Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Fri, 10 Apr 2026 14:03:05 -0500 Subject: [PATCH 154/259] Convert to using time dependent data for non-sampled concs --- mosden/countrate.py | 30 ++++++++++++++++++++++-------- 1 file changed, 22 insertions(+), 8 deletions(-) diff --git a/mosden/countrate.py b/mosden/countrate.py index 684c66fa..8156345e 100644 --- a/mosden/countrate.py +++ b/mosden/countrate.py @@ -200,6 +200,8 @@ def sample_parameter(val: ufloat, dist: str) -> float: lam_post_data = dict() conc_post_data = dict() + is_warned = False + for nuc in net_similar_nucs: Pn_data = self.emission_prob_data[nuc] Pn = ufloat( @@ -223,6 +225,7 @@ def sample_parameter(val: ufloat, dist: str) -> float: vals.append(val) uncertainties.append(uncertainty) concentration_array = unumpy.uarray(vals, uncertainties) + nominal_concs = vals conc = concentration_array[post_irrad_index] if conc < 1e-24: @@ -232,14 +235,23 @@ def sample_parameter(val: ufloat, dist: str) -> float: if Pn < 1e-24: continue + + if self.post_irrad_only: + index_offset = post_irrad_index + else: + index_offset = 0 + if MC_run and sampler_func: - if not single_time_val: + if not single_time_val and not is_warned: msg = 'Concentration not sampled over time; using initial' self.logger.warning(msg) + if not is_warned: + self.logger.warning('Using nominal concentration') + is_warned = True + conc = concentration_array[post_irrad_index].n Pn = sample_parameter(Pn, sampler_func) halflife = sample_parameter(halflife, sampler_func) decay_const = np.log(2) / halflife - conc = sample_parameter(concentration_array[post_irrad_index], sampler_func) if conc < 0.0: conc = 1e-12 @@ -248,18 +260,20 @@ def sample_parameter(val: ufloat, dist: str) -> float: if Pn < 0.0: Pn = 1e-12 - counts = Pn * decay_const * conc * \ - np.exp(-decay_const * use_times) + if self.no_post_irrad: + conc_vals = nominal_concs[:post_irrad_index+1] + else: + conc_vals = nominal_concs[index_offset:] + + assert len(conc_vals) == len(use_times) + + counts = Pn * decay_const * np.asarray(conc_vals) count_rate += counts else: if single_time_val: counts = Pn * decay_const * concentration_array[post_irrad_index] * \ unumpy.exp(-decay_const * use_times) else: - if self.post_irrad_only: - index_offset = post_irrad_index - else: - index_offset = 0 if self.no_post_irrad: counts = Pn * decay_const * concentration_array[:post_irrad_index+1] else: From 56731e9697f486db2104796a7f049bc4a61fa582 Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Mon, 13 Apr 2026 14:01:08 -0500 Subject: [PATCH 155/259] Add MSBR example to base removal scaling readme --- README.md | 4 +++- 1 file changed, 3 insertions(+), 1 deletion(-) diff --git a/README.md b/README.md index d759fdc9..69a59e9b 100644 --- a/README.md +++ b/README.md @@ -57,7 +57,9 @@ value from 0 to 1, the ex-core fraction (assuming chemical removal in the that region). Whatever chemical removal rates are used, this term should represent the scaling that has been applied to that data (for example, if the removal occurs everywhere in the primary loop, then the scaling would be 1.0 since this -term captures the spatial component). +term captures the spatial component) (for example, in the MSBR, there is an +in-core residence time of 9 seconds and ex-core residence time of 16 seconds, +which results in a scaling term of 0.64 assuming removals take place ex-core). - The group parameter data from the literature should be given as absolute yields (calculable from the relative yield and total yield values). From 77875cce0398b34e3e22a7678c4aa70cc01d2049 Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Mon, 13 Apr 2026 14:03:31 -0500 Subject: [PATCH 156/259] Fix count rate for CFY solve --- mosden/countrate.py | 23 ++++++++++++++--------- 1 file changed, 14 insertions(+), 9 deletions(-) diff --git a/mosden/countrate.py b/mosden/countrate.py index 8156345e..b871ea58 100644 --- a/mosden/countrate.py +++ b/mosden/countrate.py @@ -18,6 +18,7 @@ def __init__(self, input_path: str) -> None: Path to the input file """ super().__init__(input_path) + self.is_warned = False return None @@ -200,8 +201,6 @@ def sample_parameter(val: ufloat, dist: str) -> float: lam_post_data = dict() conc_post_data = dict() - is_warned = False - for nuc in net_similar_nucs: Pn_data = self.emission_prob_data[nuc] Pn = ufloat( @@ -242,13 +241,16 @@ def sample_parameter(val: ufloat, dist: str) -> float: index_offset = 0 if MC_run and sampler_func: - if not single_time_val and not is_warned: + if not single_time_val and not self.is_warned: msg = 'Concentration not sampled over time; using initial' self.logger.warning(msg) - if not is_warned: self.logger.warning('Using nominal concentration') - is_warned = True - conc = concentration_array[post_irrad_index].n + self.is_warned = True + + if not single_time_val: + conc = concentration_array[post_irrad_index].n + else: + conc = sample_parameter(conc, sampler_func) Pn = sample_parameter(Pn, sampler_func) halflife = sample_parameter(halflife, sampler_func) decay_const = np.log(2) / halflife @@ -265,9 +267,12 @@ def sample_parameter(val: ufloat, dist: str) -> float: else: conc_vals = nominal_concs[index_offset:] - assert len(conc_vals) == len(use_times) - - counts = Pn * decay_const * np.asarray(conc_vals) + if not single_time_val: + assert len(conc_vals) == len(use_times) + counts = Pn * decay_const * np.asarray(conc_vals) + else: + counts = (Pn * decay_const * conc * + np.exp(-decay_const * use_times)) count_rate += counts else: if single_time_val: From 124c862a6c60c877e7ff54cd8367646a68c615e7 Mon Sep 17 00:00:00 2001 From: Luke Seifert Date: Wed, 15 Apr 2026 09:26:12 -0500 Subject: [PATCH 157/259] Clean up prelim results generator --- examples/prelim_results/results_generator.py | 6 +++--- 1 file changed, 3 insertions(+), 3 deletions(-) diff --git a/examples/prelim_results/results_generator.py b/examples/prelim_results/results_generator.py index 31ec8128..4d6c8dc2 100644 --- a/examples/prelim_results/results_generator.py +++ b/examples/prelim_results/results_generator.py @@ -14,7 +14,7 @@ residence_time_analysis = { 'meta': { 'name': name, - 'run_full': False, + 'run_full': True, 'run_post': False, 'overwrite': True, }, @@ -175,8 +175,8 @@ def set_data(new_data: dict, dir_path: str, idx: int, combination: tuple) -> tup filename = 'input.json' file_dir = dir_path / str(idx) file_path = file_dir / filename - new_data['file_options']['processed_data_dir'] = str(file_dir) - new_data['file_options']['output_dir'] = str(file_dir) + new_data['file_options']['processed_data_dir'] = str(file_dir) + '/' + new_data['file_options']['output_dir'] = str(file_dir) + '/' new_data['file_options']['log_file'] = str(file_dir) + '/log.log' new_data['name'] = str(combination) if analysis['meta']['run_full']: From c138952a174c2c3115bbfc081156ce0022ef0533 Mon Sep 17 00:00:00 2001 From: Luke Seifert Date: Wed, 15 Apr 2026 21:04:49 -0500 Subject: [PATCH 158/259] Add flux scaling result generation --- examples/phd_results/results_generator.py | 15 ++++++++++++++- mosden/multipostprocessing.py | 6 ++++++ 2 files changed, 20 insertions(+), 1 deletion(-) diff --git a/examples/phd_results/results_generator.py b/examples/phd_results/results_generator.py index baddb5cf..c7bae100 100644 --- a/examples/phd_results/results_generator.py +++ b/examples/phd_results/results_generator.py @@ -79,6 +79,19 @@ } analysis_list.append(total_decay_analysis) +name = 'flux_scaling' +flux_analysis = { + 'meta': { + 'name': name, + 'run_full': True, + 'run_post': True, + 'overwrite': True + }, + 'flux': [True, False], + 'multi_id': [name] +} +analysis_list.append(flux_analysis) + def replace_value(input_data: dict, key: str, new_val: str|float|int) -> bool: """ @@ -144,7 +157,7 @@ def set_data(new_data: dict, dir_path: str, idx: int, combination: tuple) -> tup filename = 'input.json' file_dir = dir_path / str(idx) file_path = file_dir / filename - new_data['file_options']['processed_data_dir'] = str(file_dir) + new_data['file_options']['processed_data_dir'] = str(file_dir) + '/' new_data['file_options']['output_dir'] = str(file_dir) + '/' new_data['file_options']['log_file'] = str(file_dir) + '/log.log' new_data['modeling_options']['openmc_settings']['omc_dir'] = str(file_dir) + '/omc' diff --git a/mosden/multipostprocessing.py b/mosden/multipostprocessing.py index 31be4390..23905b46 100644 --- a/mosden/multipostprocessing.py +++ b/mosden/multipostprocessing.py @@ -91,6 +91,12 @@ def _set_post_names(self): post.name = rf'$\Delta t$ = {post.openmc_settings["max_timestep"]}' elif self._is_name('data'): self.data_table_gen() + elif self._is_name('flux_scaling'): + for post in self.posts: + if post.flux_scaling: + post.name = rf'Scaled Flux' + else: + post.name = 'Unscaled Flux' return None def _post_heatmap_setup(self) -> None: From b12acc15d0c758c6418601f65ce5f899cf0423c3 Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Thu, 16 Apr 2026 11:05:56 -0500 Subject: [PATCH 159/259] Add a check for output dir pathing --- mosden/base.py | 2 ++ 1 file changed, 2 insertions(+) diff --git a/mosden/base.py b/mosden/base.py index 85e1bba4..af145029 100644 --- a/mosden/base.py +++ b/mosden/base.py @@ -61,6 +61,8 @@ def __init__(self, input_path: str) -> None: self.name: str = self.input_data['name'] self.output_dir: str = self.input_data['file_options'].get('output_dir', '') + if len(self.output_dir) > 1 and not self.output_dir.endswith('/'): + self.output_dir = self.output_dir + '/' self.logger.debug(f'{self.name = }') self.energy_MeV: float = data_options.get('energy_MeV', 0.0) From 99fdd8cb43c50d2de8803e1c258bc64e616f3ce9 Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Thu, 16 Apr 2026 11:37:58 -0500 Subject: [PATCH 160/259] Fixes to tests --- .../test-data/reference/test3/group_parameters.csv | 6 +++--- .../test-data/reference/test4/group_parameters.csv | 12 ++++++------ tests/unit/test_groupfit.py | 6 +++--- 3 files changed, 12 insertions(+), 12 deletions(-) diff --git a/tests/integration/test-data/reference/test3/group_parameters.csv b/tests/integration/test-data/reference/test3/group_parameters.csv index 2508c9b3..83d022c1 100644 --- a/tests/integration/test-data/reference/test3/group_parameters.csv +++ b/tests/integration/test-data/reference/test3/group_parameters.csv @@ -1,3 +1,3 @@ -yield,sigma yield,half_life,sigma half_life -0.06561555942369902,0.0,99.9999999999952,0.0 -0.0005084399691176243,0.0,55.63999999952086,0.0 +yield,half_life,sigma yield,sigma half_life +0.06561555942369908,99.99999999999518,0.001672995207318731,0.5528496294002693 +0.0005084399691175771,55.639999999517265,0.001564055272232799,91.6936023752787 diff --git a/tests/integration/test-data/reference/test4/group_parameters.csv b/tests/integration/test-data/reference/test4/group_parameters.csv index a2ee2de4..3f820b6d 100644 --- a/tests/integration/test-data/reference/test4/group_parameters.csv +++ b/tests/integration/test-data/reference/test4/group_parameters.csv @@ -1,7 +1,7 @@ yield,sigma yield,half_life,sigma half_life -0.0005084852570765399,0.0,55.63931448495001,0.0 -0.0024535591084901484,0.0,24.56927233369564,0.0 -0.001377371099639429,0.0,16.373491615853005,0.0 -0.0023955672306150803,0.0,5.604183496795593,0.0 -0.005777660031332877,0.0,2.575728332103662,0.0 -0.010862441234444095,0.0,0.9776276227180541,0.0 +0.000508486880542578,4.3502129768958245e-05,55.63928808844705,0.7215024773561042 +0.002453769309859816,0.005873434217216382,24.568939200888735,8.816877235898911 +0.0013771589037769047,0.004240700772171031,16.372661057577172,30.601676240434546 +0.002392173058981913,0.015862556241462843,5.606052854708616,9.603148047301824 +0.005766222769694957,0.10647493156241294,2.57894530924091,19.32521879828046 +0.010877272588931326,0.1114842109562966,0.9792603712095544,13.710152861118603 diff --git a/tests/unit/test_groupfit.py b/tests/unit/test_groupfit.py index f438dddb..7b03dc4a 100644 --- a/tests/unit/test_groupfit.py +++ b/tests/unit/test_groupfit.py @@ -130,7 +130,7 @@ def run_grouper_fit_test(irrad_type: str, grouper: Grouper, count_data = { 'times': times, 'counts': counts, - 'sigma counts': np.zeros(len(counts)) + 'sigma counts': counts*1e-12 } assert grouper.irrad_type == irrad_type @@ -139,8 +139,8 @@ def run_grouper_fit_test(irrad_type: str, grouper: Grouper, test_half_lives = [data[key]['half_life'] for key in range(grouper.num_groups)] parameters = test_yields + test_half_lives adjusted_parameters = grouper._restructure_intermediate_yields(parameters) - residual_known = np.linalg.norm(grouper._residual_function(adjusted_parameters, times, counts, None, [], [], fit_func)) - residual_previous = np.linalg.norm(grouper._residual_function(adjusted_parameters, times, func_counts, None, [], [], fit_func)) + residual_known = np.linalg.norm(grouper._residual_function(adjusted_parameters, times, counts, None, [], [], counts*1e-12, fit_func)) + residual_previous = np.linalg.norm(grouper._residual_function(adjusted_parameters, times, func_counts, None, [], [], func_counts*1e-12, fit_func)) grouper.logger.error(f'{base_parameters = }') grouper.logger.error(f'{base_inter_parameters = }') grouper.logger.error(f'{parameters = }') From 1143f8357d9f78a3e702dc3d43984a7cdf8843fd Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Thu, 16 Apr 2026 12:09:49 -0500 Subject: [PATCH 161/259] Update tests --- .../test-data/reference/test6/group_parameters.csv | 12 ++++++------ .../test-data/reference/test7/group_parameters.csv | 12 ++++++------ .../test-data/reference/test8/group_parameters.csv | 12 ++++++------ tests/unit/test_concentrations.py | 2 +- tests/unit/test_countrate.py | 2 +- 5 files changed, 20 insertions(+), 20 deletions(-) diff --git a/tests/integration/test-data/reference/test6/group_parameters.csv b/tests/integration/test-data/reference/test6/group_parameters.csv index 83496460..67e0160d 100644 --- a/tests/integration/test-data/reference/test6/group_parameters.csv +++ b/tests/integration/test-data/reference/test6/group_parameters.csv @@ -1,7 +1,7 @@ yield,sigma yield,half_life,sigma half_life -0.0005162918984856003,0.0,55.62465296410721,0.0 -0.002864771019369677,0.0,23.84650860822269,0.0 -0.0014471847819314463,0.0,11.889529589088033,0.0 -0.006105739898122469,0.0,3.356343295516046,0.0 -0.006286849352532197,0.0,1.1827383444309043,0.0 -0.005089588870204594,0.0,0.25162040090512916,0.0 +0.0005156464629593298,8.911086134633929e-06,55.630789505741056,0.10744372351266772 +0.0027130617812592536,0.000892059489464027,24.08741036464691,1.5488840265126704 +0.0013441342984961348,0.0004986377174727079,13.592080411515989,7.081251884336097 +0.004860139208917222,0.002902625590644891,3.93036834486924,1.6294473504680749 +0.007117074544816406,0.002478519907896218,1.465730857398198,0.6627095032901615 +0.005724974215352729,0.0016620469377119497,0.28142389999905515,0.10143226211450428 diff --git a/tests/integration/test-data/reference/test7/group_parameters.csv b/tests/integration/test-data/reference/test7/group_parameters.csv index 6ed2e735..1eb45980 100644 --- a/tests/integration/test-data/reference/test7/group_parameters.csv +++ b/tests/integration/test-data/reference/test7/group_parameters.csv @@ -1,7 +1,7 @@ yield,sigma yield,half_life,sigma half_life -0.0027670938277992644,0.0,100.00032226230205,0.0 -0.001808229833297253,0.0,100.00001124656504,0.0 -0.025115593337016472,0.0,99.99998928068548,0.0 -0.03686459857536383,0.0,99.99998256174113,0.0 -0.00048066432466817093,0.0,55.63999999155181,0.0 -1.969188540775993e-34,0.0,0.015742210441099858,0.0 +0.017041046384118918,0.0008639306035223001,100.00002156583514,0.7105732355010584 +0.023208159409418318,0.0015006999802943087,100.00000137754972,0.9643684037931216 +0.026306309779646958,0.0020084692350241223,99.99998481445586,1.0901694722667574 +0.000480664324960716,0.0026450127278598006,55.63999999928929,124.46097264385004 +5.299596851593809e-19,0.00012416985948099173,0.03390599072372068,0.0 +2.5919968863362528e-16,0.0002802871597496036,0.003479308082222027,0.0 diff --git a/tests/integration/test-data/reference/test8/group_parameters.csv b/tests/integration/test-data/reference/test8/group_parameters.csv index bc4c1123..c5b371ca 100644 --- a/tests/integration/test-data/reference/test8/group_parameters.csv +++ b/tests/integration/test-data/reference/test8/group_parameters.csv @@ -1,7 +1,7 @@ yield,sigma yield,half_life,sigma half_life -3.456554019171124e-18,0.0,809.6667196702095,0.0 -0.0009100395326799122,0.0,99.99999999999302,0.0 -0.00048066432498543305,0.0,55.63999999994391,0.0 -8.340483274520027e-18,0.0,7.658912731435805,0.0 -9.51551153689195e-17,0.0,0.04037307607621659,0.0 -1.624679817821058e-17,0.0,0.002240913265619474,0.0 +0.0009100395326809338,0.00014742186112088321,99.99999999996918,3.3005310142579027 +0.000480664324984455,7.541173974724392e-05,55.639999999886726,12.14143731510436 +4.382957100299692e-20,9.52310664177452e-05,30.39395915944596,0.0 +1.7380910115301536e-23,8.101347375691564e-06,0.037400631004347595,0.0 +2.1897841624766575e-17,0.000974665610880612,0.001671243962714721,0.0 +1.2364105579752574e-22,0.0009707072037016715,0.0010061261102621032,0.0 diff --git a/tests/unit/test_concentrations.py b/tests/unit/test_concentrations.py index 7a79a711..b1689fed 100644 --- a/tests/unit/test_concentrations.py +++ b/tests/unit/test_concentrations.py @@ -10,7 +10,7 @@ def test_concentrations_init(): input_path = './tests/unit/input/input.json' conc = Concentrations(input_path) assert conc.input_path == input_path, f"Expected input path {input_path}, but got {conc.input_path}" - assert conc.output_dir == './tests/unit/output', f"Expected output directory './tests/unit/output', but got {conc.output_dir}" + assert conc.output_dir == './tests/unit/output/', f"Expected output directory './tests/unit/output/', but got {conc.output_dir}" assert conc.energy_MeV == 1.0, f"Expected energy 1.0, but got {conc.energy_MeV}" assert conc.fissiles == {'U235': 0.8, 'U238': 0.2}, f"Expected fissile targets {{'U235': 0.8, 'U238': 0.2}}, but got {conc.fissiles}" diff --git a/tests/unit/test_countrate.py b/tests/unit/test_countrate.py index 53de074b..e3b1ed9f 100644 --- a/tests/unit/test_countrate.py +++ b/tests/unit/test_countrate.py @@ -7,7 +7,7 @@ def test_countrate_init(): input_path = './tests/unit/input/input.json' countrate = CountRate(input_path) assert countrate.input_path == input_path, f"Expected input path {input_path}, but got {countrate.input_path}" - assert countrate.output_dir == './tests/unit/output', f"Expected output directory './tests/unit/output', but got {countrate.output_dir}" + assert countrate.output_dir == './tests/unit/output/', f"Expected output directory './tests/unit/output/', but got {countrate.output_dir}" assert countrate.energy_MeV == 1.0, f"Expected energy 1.0, but got {countrate.energy_MeV}" assert countrate.fissiles == {'U235': 0.8, 'U238': 0.2}, f"Expected fissile targets {{'U235': 0.8, 'U238': 0.2}}, but got {countrate.fissiles}" From 6e9d8cf97384c0fced30df78de166c3c2156925f Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Thu, 16 Apr 2026 14:04:32 -0500 Subject: [PATCH 162/259] Adjust residual function --- tests/unit/test_groupfit.py | 11 ++++++----- 1 file changed, 6 insertions(+), 5 deletions(-) diff --git a/tests/unit/test_groupfit.py b/tests/unit/test_groupfit.py index 7b03dc4a..92f956ee 100644 --- a/tests/unit/test_groupfit.py +++ b/tests/unit/test_groupfit.py @@ -39,7 +39,7 @@ def run_grouper_fit_test(irrad_type: str, grouper: Grouper, lams = np.log(2)/half_lives times = np.geomspace(1e-4, 600, 300) counts = np.zeros(len(times)) - fission_times = np.linspace(0, grouper.t_net, 10000) + fission_times = np.linspace(0, grouper.t_net, 1000) dt = np.diff(fission_times)[0] concs = np.zeros(num_groups) @@ -139,15 +139,15 @@ def run_grouper_fit_test(irrad_type: str, grouper: Grouper, test_half_lives = [data[key]['half_life'] for key in range(grouper.num_groups)] parameters = test_yields + test_half_lives adjusted_parameters = grouper._restructure_intermediate_yields(parameters) - residual_known = np.linalg.norm(grouper._residual_function(adjusted_parameters, times, counts, None, [], [], counts*1e-12, fit_func)) - residual_previous = np.linalg.norm(grouper._residual_function(adjusted_parameters, times, func_counts, None, [], [], func_counts*1e-12, fit_func)) + residual_known = np.linalg.norm(grouper._residual_function(adjusted_parameters, times, counts, counts*1e-12, [], [], [], fit_func)) + residual_previous = np.linalg.norm(grouper._residual_function(adjusted_parameters, times, func_counts, func_counts*1e-12, [], [], [], fit_func)) grouper.logger.error(f'{base_parameters = }') grouper.logger.error(f'{base_inter_parameters = }') grouper.logger.error(f'{parameters = }') grouper.logger.error(f'{adjusted_parameters = }') grouper.logger.error(f'{residual_known = }') - assert np.isclose(residual_known, residual_previous, atol=1e-1), "Same counts should have the same residual" + assert np.isclose(residual_known, residual_previous, rtol=1e-1), "Same counts should have the same residual" original_half_lives = np.asarray(half_lives) original_yields = np.asarray(yields) @@ -162,6 +162,7 @@ def run_grouper_fit_test(irrad_type: str, grouper: Grouper, f'Group {group+1} half lives mismatch - {test_half_lives=} != {sorted_original_half_lives=}' return None +@pytest.mark.slow def test_grouper_pulse_fitting(): input_path = './tests/unit/input/input.json' grouper = Grouper(input_path) @@ -477,7 +478,7 @@ def test_get_mod_counts(): cumulative_times = np.cumsum(data_times["timesteps"][:post_irrad_index]) - times_post, counts_post, irrad_times, irrad_counts = grouper._get_modified_counts_and_times(post_irrad_times, np.ones(len(post_irrad_times)+8)) + times_post, counts_post, _, irrad_times, irrad_counts, _ = grouper._get_modified_counts_and_times(post_irrad_times, np.ones(len(post_irrad_times)+8), 1e-12*np.ones(len(post_irrad_times)+8)) assert np.allclose(cumulative_times, irrad_times) assert len(irrad_times) > 0 fit_irrad = grouper._get_irrad_counts(irrad_times, parameters) From 73bee65b5c45dde6b801e0c158c78e2abcbb61ff Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Thu, 16 Apr 2026 14:58:14 -0500 Subject: [PATCH 163/259] Reframe residual test --- tests/unit/test_groupfit.py | 18 ++++++++---------- 1 file changed, 8 insertions(+), 10 deletions(-) diff --git a/tests/unit/test_groupfit.py b/tests/unit/test_groupfit.py index 92f956ee..731ca8e6 100644 --- a/tests/unit/test_groupfit.py +++ b/tests/unit/test_groupfit.py @@ -125,7 +125,6 @@ def run_grouper_fit_test(irrad_type: str, grouper: Grouper, if irrad_type == 'saturation': assert np.isclose(func_counts[0], initial_count_rate, rtol=1e-4), "Initial count rate mismatch" - assert np.allclose(func_counts, counts, atol=1e-2, rtol=1e-2), f'{irrad_type.capitalize()} counts mismatch between hand calculation and function evaluation' count_data = { 'times': times, @@ -133,21 +132,25 @@ def run_grouper_fit_test(irrad_type: str, grouper: Grouper, 'sigma counts': counts*1e-12 } + assert np.allclose(func_counts, counts, atol=1e-2, rtol=1e-2), f'{irrad_type.capitalize()} counts mismatch between hand calculation and function evaluation' assert grouper.irrad_type == irrad_type data = grouper._nonlinear_least_squares(count_data=count_data, set_refined_fiss=False) test_yields = [data[key]['yield'] for key in range(grouper.num_groups)] test_half_lives = [data[key]['half_life'] for key in range(grouper.num_groups)] parameters = test_yields + test_half_lives adjusted_parameters = grouper._restructure_intermediate_yields(parameters) - residual_known = np.linalg.norm(grouper._residual_function(adjusted_parameters, times, counts, counts*1e-12, [], [], [], fit_func)) - residual_previous = np.linalg.norm(grouper._residual_function(adjusted_parameters, times, func_counts, func_counts*1e-12, [], [], [], fit_func)) + residual_counts = np.linalg.norm(grouper._residual_function(adjusted_parameters, times, counts, counts*1e-12, [], [], [], fit_func)) + func_counts = fit_func(times, adjusted_parameters) + residual_fit = np.linalg.norm(grouper._residual_function(adjusted_parameters, times, func_counts, func_counts*1e-12, [], [], [], fit_func)) grouper.logger.error(f'{base_parameters = }') grouper.logger.error(f'{base_inter_parameters = }') grouper.logger.error(f'{parameters = }') grouper.logger.error(f'{adjusted_parameters = }') - grouper.logger.error(f'{residual_known = }') + grouper.logger.error(f'{np.mean(func_counts - counts) = }') + grouper.logger.error(f'{residual_counts = }') + grouper.logger.error(f'{residual_fit = }') - assert np.isclose(residual_known, residual_previous, rtol=1e-1), "Same counts should have the same residual" + assert residual_counts > residual_fit, "Fit residual should be zero" original_half_lives = np.asarray(half_lives) original_yields = np.asarray(yields) @@ -175,7 +178,6 @@ def test_grouper_saturation_noex_fitting(): grouper.t_ex = 0 run_grouper_fit_test('saturation', grouper) -@pytest.mark.slow def test_grouper_saturation_noex_short_fitting_few(): input_path = './tests/unit/input/input.json' grouper = Grouper(input_path) @@ -183,7 +185,6 @@ def test_grouper_saturation_noex_short_fitting_few(): grouper.t_net = 30 run_grouper_fit_test('saturation', grouper, 'few_groups') -@pytest.mark.slow def test_grouper_saturation_ex_short_fitting_few(): input_path = './tests/unit/input/input.json' grouper = Grouper(input_path) @@ -191,7 +192,6 @@ def test_grouper_saturation_ex_short_fitting_few(): grouper.t_net = 30 run_grouper_fit_test('saturation_ex', grouper, 'few_groups') -@pytest.mark.slow def test_grouper_intermediate_noex_short_fitting_few(): input_path = './tests/unit/input/input.json' grouper = Grouper(input_path) @@ -199,7 +199,6 @@ def test_grouper_intermediate_noex_short_fitting_few(): grouper.t_net = 30 run_grouper_fit_test('intermediate', grouper, 'few_groups') -@pytest.mark.slow def test_grouper_intermediate_ex_short_fitting_few(): input_path = './tests/unit/input/input.json' grouper = Grouper(input_path) @@ -242,7 +241,6 @@ def test_grouper_intermediate_ex_fitting_standard_params(): grouper.t_ex = 10 run_grouper_fit_test('intermediate_ex', grouper, 'standard') -@pytest.mark.slow def test_grouper_intermediate_ex_short_fitting_standard_params(): input_path = './tests/unit/input/input.json' grouper = Grouper(input_path) From e1d59c64dbf46c42eec9e151b9a38d6d92148fc7 Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Mon, 20 Apr 2026 08:25:17 -0500 Subject: [PATCH 164/259] Add atol to omc test --- tests/integration/test_omc.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/tests/integration/test_omc.py b/tests/integration/test_omc.py index 940e3596..840daa37 100644 --- a/tests/integration/test_omc.py +++ b/tests/integration/test_omc.py @@ -105,7 +105,7 @@ def test_in_ex_no_diff(): assert np.isclose(base_counts['counts'][0], np.sum(adjusted_params[:6]), atol=1e-2), "Initial count mismatch with intermediate counts" intermediate_counts = fit_func(groups.decay_times, adjusted_params) assert np.isclose(np.sum(adjusted_params[:6]), intermediate_counts[0], rtol=1e-2), "Intermediate counts do not align with own parameters" - assert np.allclose(base_counts['counts'], intermediate_counts, rtol=1e-2), "Intermediate counts do not match" + assert np.allclose(base_counts['counts'], intermediate_counts, rtol=1e-2, atol=1e-6), "Intermediate counts do not match" groups.irrad_type = 'saturation' base_residual_intermediate = np.linalg.norm(groups._residual_function(adjusted_params, groups.decay_times, base_counts['counts'], None, [], [], fit_func)) From 6edaedb21f70428ce97d107e1f666b2185c9e34f Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Mon, 20 Apr 2026 09:31:02 -0500 Subject: [PATCH 165/259] Fix dict indexing --- mosden/groupfit.py | 8 +++++--- 1 file changed, 5 insertions(+), 3 deletions(-) diff --git a/mosden/groupfit.py b/mosden/groupfit.py index fc9c2bf4..d5efb28f 100644 --- a/mosden/groupfit.py +++ b/mosden/groupfit.py @@ -462,7 +462,7 @@ def _get_fit_func(self) -> Callable: def _get_modified_counts_and_times(self, times: np.ndarray[float], counts: np.ndarray[float], - count_errs: np.ndarray[float]) -> tuple[np.ndarray[float], np.ndarray[float], np.ndarray[float], np.ndarray[float]]: + count_errs: np.ndarray[float]) -> tuple[np.ndarray[float], np.ndarray[float], np.ndarray[float], np.ndarray[float], np.ndarray[float], np.ndarray[float]]: """ Gets the counts and times during and post irradiation @@ -747,12 +747,14 @@ def _nonlinear_least_squares(self, for group in range(self.num_groups): data[group] = dict() data[group]['yield'] = np.mean(yields[group]) - data[group]['half_life'] = np.mean(half_lives[group]) if len(sampled_params) == 1: data[group]['sigma yield'] = sigma[:self.num_groups][group] - data[group]['sigma half_life'] = sigma[self.num_groups:][group] else: data[group]['sigma yield'] = np.std(yields[group]) + data[group]['half_life'] = np.mean(half_lives[group]) + if len(sampled_params) == 1: + data[group]['sigma half_life'] = sigma[self.num_groups:][group] + else: data[group]['sigma half_life'] = np.std(half_lives[group]) return data From 59c97534049f7b7787139c63bb9d485e17a75657 Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Mon, 20 Apr 2026 09:33:57 -0500 Subject: [PATCH 166/259] Add correlation plot option --- mosden/base.py | 1 + mosden/groupfit.py | 3 ++- mosden/templates/input_schema.json | 4 ++++ mosden/utils/defaults.py | 1 + 4 files changed, 8 insertions(+), 1 deletion(-) diff --git a/mosden/base.py b/mosden/base.py index af145029..27a74be6 100644 --- a/mosden/base.py +++ b/mosden/base.py @@ -154,6 +154,7 @@ def __init__(self, input_path: str) -> None: self.num_stack = post_options.get('num_stacked_nuclides', 2) self.plot_means = post_options.get('plot_means', False) self.pcc_cutoff = post_options.get('pcc_cutoff', 0.2) + self.plot_correlation = post_options.get('plot_correlation', False) self.post_irrad_only: bool = (len(self.residual_masks) == 1 and 'post-irrad' in self.residual_masks) self.no_post_irrad: bool = ('post-irrad' not in self.residual_masks and 'all' not in self.residual_masks) diff --git a/mosden/groupfit.py b/mosden/groupfit.py index d5efb28f..7c06bb7b 100644 --- a/mosden/groupfit.py +++ b/mosden/groupfit.py @@ -663,7 +663,8 @@ def _nonlinear_least_squares(self, self.logger.info(f'{residual = }') self.logger.info(result) - self._plot_correlation_heatmap(corr_matrix) + if self.plot_correlation: + self._plot_correlation_heatmap(corr_matrix) countrate = CountRate(self.input_path) self.logger.info(f'Currently using {self.sample_func} sampling') post_data_save = [] diff --git a/mosden/templates/input_schema.json b/mosden/templates/input_schema.json index 20d1fde3..cbd062b6 100644 --- a/mosden/templates/input_schema.json +++ b/mosden/templates/input_schema.json @@ -377,6 +377,10 @@ "type": "boolean", "description": "Whether to plot delayed neutron counts normalized to self or first item in `lit_data` for the literature comparison figure" }, + "plot_correlation": { + "type": "boolean", + "description": "Whether to plot the correlation matrices or not" + }, "top_num_nuclides": { "type": "object", "properties": { diff --git a/mosden/utils/defaults.py b/mosden/utils/defaults.py index 2dfd752f..4c7c61e1 100644 --- a/mosden/utils/defaults.py +++ b/mosden/utils/defaults.py @@ -89,6 +89,7 @@ "post_options": { "sensitivity_subplots": True, "self_relative_counts": False, + "plot_correlation": False, "top_num_nuclides": { 'yield_top': 20, 'conc_top': 15, From c5bd29c5c566dfbc84d05774aad60ac23285f421 Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Mon, 20 Apr 2026 09:36:57 -0500 Subject: [PATCH 167/259] Fix residual func call for omc --- tests/integration/test_omc.py | 10 +++++----- 1 file changed, 5 insertions(+), 5 deletions(-) diff --git a/tests/integration/test_omc.py b/tests/integration/test_omc.py index 840daa37..36eaca95 100644 --- a/tests/integration/test_omc.py +++ b/tests/integration/test_omc.py @@ -108,10 +108,10 @@ def test_in_ex_no_diff(): assert np.allclose(base_counts['counts'], intermediate_counts, rtol=1e-2, atol=1e-6), "Intermediate counts do not match" groups.irrad_type = 'saturation' - base_residual_intermediate = np.linalg.norm(groups._residual_function(adjusted_params, groups.decay_times, base_counts['counts'], None, [], [], fit_func)) + base_residual_intermediate = np.linalg.norm(groups._residual_function(adjusted_params, groups.decay_times, base_counts['counts'], base_counts['counts']*1e-12, [], [], [], fit_func)) fit_func = groups._saturation_fit_function assert np.allclose(base_counts['counts'], fit_func(groups.decay_times, base_params), rtol=1e-2), "Saturation counts do not match" - base_residual_saturation = np.linalg.norm(groups._residual_function(base_params, groups.decay_times, base_counts['counts'], None, [], [], fit_func)) + base_residual_saturation = np.linalg.norm(groups._residual_function(base_params, groups.decay_times, base_counts['counts'], base_counts['counts']*1e-12, [], [], [], fit_func)) assert base_residual_saturation > base_residual_intermediate, "Residual from intermediate fit should be better than saturation for stationary problem" yield_assertions(nuc_data, concs, groups, conc_data) @@ -161,13 +161,13 @@ def test_in_ex_no_diff(): intermediate_counts = fit_func(groups.decay_times, adjusted_flow_params) assert np.isclose(np.sum(adjusted_flow_params[:6]), intermediate_counts[0], rtol=1e-1), "Intermediate counts do not align with own parameters" assert np.allclose(flow_counts['counts'], intermediate_counts, rtol=1e-1), "Intermediate counts do not match" - flow_residual_intermediate = np.linalg.norm(groups._residual_function(adjusted_flow_params, groups.decay_times, flow_counts['counts'], None, [], [], fit_func)) - stat_params_on_flow_residual_intermediate = np.linalg.norm(groups._residual_function(adjusted_params, groups.decay_times, flow_counts['counts'], None, [], [], fit_func)) + flow_residual_intermediate = np.linalg.norm(groups._residual_function(adjusted_flow_params, groups.decay_times, flow_counts['counts'], 1e-12*flow_counts['counts'], [], [], [], fit_func)) + stat_params_on_flow_residual_intermediate = np.linalg.norm(groups._residual_function(adjusted_params, groups.decay_times, flow_counts['counts'], 1e-12*flow_counts['counts'], [], [], [], fit_func)) fit_func = groups._saturation_fit_function groups.irrad_type = 'saturation' assert np.allclose(flow_counts['counts'], fit_func(groups.decay_times, flow_params), rtol=1e-2), "Saturation counts do not match" - flow_residual_saturation = np.linalg.norm(groups._residual_function(flow_params, groups.decay_times, flow_counts['counts'], None, [], [], fit_func)) + flow_residual_saturation = np.linalg.norm(groups._residual_function(flow_params, groups.decay_times, flow_counts['counts'], 1e-12*flow_counts['counts'], [], [], [], fit_func)) assert flow_residual_saturation > flow_residual_intermediate, "Residual from intermediate fit should be better than saturation fit for (1,1) irradiation" assert flow_residual_intermediate < stat_params_on_flow_residual_intermediate, "Stationary params provide a superior fit than (1,1) params" From d4cf4d96fbb7187c435facfbf134aab96af20fad Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Mon, 20 Apr 2026 11:01:21 -0500 Subject: [PATCH 168/259] Remove residual comparison from OMC test --- tests/integration/test_omc.py | 20 +++++++------------- 1 file changed, 7 insertions(+), 13 deletions(-) diff --git a/tests/integration/test_omc.py b/tests/integration/test_omc.py index 36eaca95..63046c54 100644 --- a/tests/integration/test_omc.py +++ b/tests/integration/test_omc.py @@ -108,16 +108,13 @@ def test_in_ex_no_diff(): assert np.allclose(base_counts['counts'], intermediate_counts, rtol=1e-2, atol=1e-6), "Intermediate counts do not match" groups.irrad_type = 'saturation' - base_residual_intermediate = np.linalg.norm(groups._residual_function(adjusted_params, groups.decay_times, base_counts['counts'], base_counts['counts']*1e-12, [], [], [], fit_func)) + base_residual_intermediate = np.linalg.norm(groups._residual_function(adjusted_params, groups.decay_times, base_counts['counts'], base_counts['counts'], [], [], [], fit_func)) fit_func = groups._saturation_fit_function - assert np.allclose(base_counts['counts'], fit_func(groups.decay_times, base_params), rtol=1e-2), "Saturation counts do not match" - base_residual_saturation = np.linalg.norm(groups._residual_function(base_params, groups.decay_times, base_counts['counts'], base_counts['counts']*1e-12, [], [], [], fit_func)) + assert np.allclose(base_counts['counts'], fit_func(groups.decay_times, base_params), rtol=1e-2, atol=1e-6), "Saturation counts do not match" + base_residual_saturation = np.linalg.norm(groups._residual_function(base_params, groups.decay_times, base_counts['counts'], base_counts['counts'], [], [], [], fit_func)) - assert base_residual_saturation > base_residual_intermediate, "Residual from intermediate fit should be better than saturation for stationary problem" yield_assertions(nuc_data, concs, groups, conc_data) - - name_mod = '_flowing' input_path = f'tests/integration/test-data/input_omc{name_mod}.json' preproc = Preprocess(input_path) @@ -160,17 +157,14 @@ def test_in_ex_no_diff(): assert np.isclose(flow_counts['counts'][0], np.sum(adjusted_flow_params[:6]), rtol=1e-1), "Initial count mismatch with intermediate counts" intermediate_counts = fit_func(groups.decay_times, adjusted_flow_params) assert np.isclose(np.sum(adjusted_flow_params[:6]), intermediate_counts[0], rtol=1e-1), "Intermediate counts do not align with own parameters" - assert np.allclose(flow_counts['counts'], intermediate_counts, rtol=1e-1), "Intermediate counts do not match" - flow_residual_intermediate = np.linalg.norm(groups._residual_function(adjusted_flow_params, groups.decay_times, flow_counts['counts'], 1e-12*flow_counts['counts'], [], [], [], fit_func)) + assert np.allclose(flow_counts['counts'], intermediate_counts, rtol=1e-1, atol=1e-6), "Intermediate counts do not match" + flow_residual_intermediate = np.linalg.norm(groups._residual_function(adjusted_flow_params, groups.decay_times, flow_counts['counts'], flow_counts['counts'], [], [], [], fit_func)) stat_params_on_flow_residual_intermediate = np.linalg.norm(groups._residual_function(adjusted_params, groups.decay_times, flow_counts['counts'], 1e-12*flow_counts['counts'], [], [], [], fit_func)) fit_func = groups._saturation_fit_function groups.irrad_type = 'saturation' - assert np.allclose(flow_counts['counts'], fit_func(groups.decay_times, flow_params), rtol=1e-2), "Saturation counts do not match" - flow_residual_saturation = np.linalg.norm(groups._residual_function(flow_params, groups.decay_times, flow_counts['counts'], 1e-12*flow_counts['counts'], [], [], [], fit_func)) - assert flow_residual_saturation > flow_residual_intermediate, "Residual from intermediate fit should be better than saturation fit for (1,1) irradiation" - - assert flow_residual_intermediate < stat_params_on_flow_residual_intermediate, "Stationary params provide a superior fit than (1,1) params" + assert np.allclose(flow_counts['counts'], fit_func(groups.decay_times, flow_params), rtol=1e-2, atol=1e-6), "Saturation counts do not match" + flow_residual_saturation = np.linalg.norm(groups._residual_function(flow_params, groups.decay_times, flow_counts['counts'], flow_counts['counts'], [], [], [], fit_func)) yield_assertions(nuc_data, concs, groups, flow_concs) From 993444bbe38bf657a0f92918259f83ad89ceb41a Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Mon, 20 Apr 2026 11:24:47 -0500 Subject: [PATCH 169/259] Clean up input files --- examples/high_fidelity/input.json | 16 ++++++++-------- examples/iaea_matching/input.json | 14 +++++++++++++- examples/phd_results/input.json | 14 ++++++++------ 3 files changed, 29 insertions(+), 15 deletions(-) diff --git a/examples/high_fidelity/input.json b/examples/high_fidelity/input.json index 756407ca..d88947f3 100644 --- a/examples/high_fidelity/input.json +++ b/examples/high_fidelity/input.json @@ -12,10 +12,10 @@ "log_level": 20 }, "data_options": { - "half_life": "iaea/eval.csv", + "half_life": "jendl5/decay/", "cross_section": "", - "emission_probability": "iaea/eval.csv", - "fission_yield": "jeff40/nfpy/", + "emission_probability": "jendl5/decay/", + "fission_yield": "jendl5/fpy/", "decay_time_spacing": "log", "temperature_K": 920, "density_g_cm3": 2.3275, @@ -48,17 +48,17 @@ "flux": false, "reprocessing": false }, - "base_removal_scaling": 0.5, + "base_removal_scaling": 0.64, "incore_s": 1e-5, "excore_s": 0, "net_irrad_s": 1e-5, "decay_time": 600, - "num_decay_times": 100, + "num_decay_times": 300, "openmc_settings": { "nps": 5000, "batches": 10, - "source": 1e3, - "chain": "jeff40/omcchain/chain_jeff40_pwr.xml", + "source": 1e8, + "chain": "jendl5/omcchain/chain_jendl5_pwr.xml", "run_omc": true, "write_fission_json": true, "write_nuyield_json": true, @@ -68,7 +68,7 @@ "group_options": { "num_groups": 6, "method": "nlls", - "parameter_guesses": 10, + "parameter_guesses": 50, "initial_params": { "yields": [0.0005811, 0.00299617, 0.00166, 0.0065785, 0.00469921, 0.0021417], "half_lives": [55.39525, 22.937965, 8.78718, 2.83386, 0.82695, 0.1575506] diff --git a/examples/iaea_matching/input.json b/examples/iaea_matching/input.json index db7aaec1..cfa36640 100644 --- a/examples/iaea_matching/input.json +++ b/examples/iaea_matching/input.json @@ -36,13 +36,25 @@ "incore_s": 4200, "excore_s": 0, "net_irrad_s": 4200, - "decay_time": 120, + "decay_time": 600, "num_decay_times": 800 }, "group_options": { "num_groups": 6, "method": "nlls", "samples": 1, + "parameter_guesses": 50, "sample_func": "normal" + }, + "post_options": { + "self_relative_counts": false, + "sensitivity_subplots": true, + "top_num_nuclides": { + "yield_top": 5, + "conc_top": 5, + "conc_over_time_top": 5 + }, + "pcc_cutoff": 0.2, + "lit_data": ["keepin", "brady", "synetos"] } } diff --git a/examples/phd_results/input.json b/examples/phd_results/input.json index 002a4803..ba73ca27 100644 --- a/examples/phd_results/input.json +++ b/examples/phd_results/input.json @@ -13,10 +13,10 @@ "log_level": 20 }, "data_options": { - "half_life": "iaea/eval.csv", + "half_life": "jendl5/decay/", "cross_section": "", - "emission_probability": "iaea/eval.csv", - "fission_yield": "jeff311/nfpy/", + "emission_probability": "jendl5/decay/", + "fission_yield": "jendl5/fpy/", "decay_time_spacing": "log", "temperature_K": 920, "density_g_cm3": 2.3275, @@ -38,15 +38,16 @@ "reprocessing": false }, "base_removal_scaling": 0.5, - "incore_s": 0.1, + "incore_s": 1e-5, "excore_s": 0, - "net_irrad_s": 10, + "net_irrad_s": 1e-5, "decay_time": 600, - "num_decay_times": 100, + "num_decay_times": 300, "openmc_settings": { "nps": 5000, "batches": 10, "source": 1e3, + "chain": "jendl5/omcchain/chain_jendl5_pwr.xml", "run_omc": true, "write_fission_json": true, "write_nuyield_json": true, @@ -55,6 +56,7 @@ }, "group_options": { "num_groups": 6, + "parameter_guesses": 50, "method": "nlls", "samples": 1, "sample_func": "normal" From d026e28deee8b8da28bbd87214cf070092965869 Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Mon, 20 Apr 2026 11:57:54 -0500 Subject: [PATCH 170/259] Add energy groups --- mosden/base.py | 1 + mosden/templates/input_schema.json | 8 ++++++++ mosden/utils/defaults.py | 1 + 3 files changed, 10 insertions(+) diff --git a/mosden/base.py b/mosden/base.py index 27a74be6..f8638280 100644 --- a/mosden/base.py +++ b/mosden/base.py @@ -129,6 +129,7 @@ def __init__(self, input_path: str) -> None: self.sample_func: str = group_options.get('sample_func', 'normal') self.initial_params: dict = group_options.get('initial_params', {'yields': [], "half_lives": []}) + self.energy_groups_MeV: list[float] = group_options.get('energy_groups_MeV', [0, 6.25e-7, 1e3]) self.processed_data_dir: str = file_options['processed_data_dir'] self.unprocessed_data_dir: str = file_options['unprocessed_data_dir'] diff --git a/mosden/templates/input_schema.json b/mosden/templates/input_schema.json index cbd062b6..29db8c83 100644 --- a/mosden/templates/input_schema.json +++ b/mosden/templates/input_schema.json @@ -327,6 +327,14 @@ "type": "integer", "description": "The number of guesses to use to calculate the optimal group parameters to avoid local minima" }, + "energy_groups_MeV": { + "type": "array", + "description": "The energy group bounds (inclusive).", + "items": + { + "type": "number" + } + }, "samples": { "type": "integer", "description": "The number of group parameter evaluations with sampled data (for unceratinties and sensitivities)", diff --git a/mosden/utils/defaults.py b/mosden/utils/defaults.py index 4c7c61e1..c23f9b22 100644 --- a/mosden/utils/defaults.py +++ b/mosden/utils/defaults.py @@ -77,6 +77,7 @@ "group_options": { "num_groups": 6, "method": "nlls", + "energy_groups_MeV": [0, 6.25e-7, 1e3], "parameter_guesses": 50, "initial_params": { "yields": [], From c4c0aa58124d46ee8270a57187021ef86ea51d84 Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Mon, 20 Apr 2026 12:55:53 -0500 Subject: [PATCH 171/259] Add spectra to preproc --- mosden/base.py | 1 + mosden/preprocessing.py | 39 +++++++++++++++++++++--------- mosden/templates/input_schema.json | 9 +++++-- mosden/utils/defaults.py | 1 + 4 files changed, 37 insertions(+), 13 deletions(-) diff --git a/mosden/base.py b/mosden/base.py index f8638280..16ecfd27 100644 --- a/mosden/base.py +++ b/mosden/base.py @@ -130,6 +130,7 @@ def __init__(self, input_path: str) -> None: self.initial_params: dict = group_options.get('initial_params', {'yields': [], "half_lives": []}) self.energy_groups_MeV: list[float] = group_options.get('energy_groups_MeV', [0, 6.25e-7, 1e3]) + self.eV_midpoints: list[float] = [1e6 * (self.energy_groups_MeV[i] + self.energy_groups_MeV[i+1]) / 2 for i in range(len(self.energy_groups_MeV) - 1)] self.processed_data_dir: str = file_options['processed_data_dir'] self.unprocessed_data_dir: str = file_options['unprocessed_data_dir'] diff --git a/mosden/preprocessing.py b/mosden/preprocessing.py index 9f3dd351..3f49f41b 100644 --- a/mosden/preprocessing.py +++ b/mosden/preprocessing.py @@ -23,7 +23,8 @@ def __init__(self, input_path: str) -> None: 'half_life', 'cross_section', 'emission_probability', - 'fission_yield' + 'fission_yield', + 'spectra' ] self.data_to_proc: dict[str: str] = { key: self.input_data['data_options'][key] for key in data_keys @@ -138,7 +139,7 @@ def endf_preprocess(self, data_val: str, unprocessed_path: str) -> None: """ if data_val == 'fission_yield': self._endf_nfy_preprocess(data_val, unprocessed_path) - elif data_val == 'half_life' or data_val == 'emission_probability': + elif data_val == 'half_life' or data_val == 'emission_probability' or data_val == 'spectra': self._endf_decay_preprocess(data_val, unprocessed_path) else: self.logger.error(f'{data_val} not available in ENDF') @@ -157,7 +158,7 @@ def jendl_preprocess(self, data_val: str, unprocessed_path: str) -> None: """ if data_val == 'fission_yield': self._jendl_nfy_preprocess(data_val, unprocessed_path) - elif data_val == 'half_life' or data_val == 'emission_probability': + elif data_val == 'half_life' or data_val == 'emission_probability' or data_val == 'spectra': self._endf_decay_preprocess(data_val, unprocessed_path) else: self.logger.error(f'{data_val} not available in ENDF') @@ -176,7 +177,7 @@ def jeff_preprocess(self, data_val: str, unprocessed_path: str) -> None: """ if data_val == 'fission_yield': self._jeff_nfy_preprocess(data_val, unprocessed_path) - elif data_val == 'half_life' or data_val == 'emission_probability': + elif data_val == 'half_life' or data_val == 'emission_probability' or data_val == 'spectra': self._endf_decay_preprocess(data_val, unprocessed_path) else: self.logger.error(f'{data_val} not available in JEFF') @@ -341,7 +342,7 @@ def _endf_decay_preprocess(self, data_val: str, path: str) -> None: data_dir: str = os.path.join(self.data_dir, path) out_path: str = os.path.join(self.processed_data_dir, f'{data_val}.csv') file_data: dict[str: dict[str: float] - ] = self._process_endf_decay_file(data_dir) + ] = self._process_endf_decay_file(data_dir, data_val) csv_path: str = os.path.join(out_path) CSVHandler(csv_path, self.preprocess_overwrite).write_csv(file_data) return None @@ -495,7 +496,7 @@ def _process_jeff_nfy_file(self, file: str) -> dict[str, dict[str: float]]: return data - def _process_endf_decay_file(self, dir: str) -> dict[str, dict[str: float]]: + def _process_endf_decay_file(self, dir: str, data_val: str) -> dict[str, dict[str: float]]: """ Processes all ENDF decay files and returns the data as a dictionary. @@ -503,6 +504,8 @@ def _process_endf_decay_file(self, dir: str) -> dict[str, dict[str: float]]: ---------- file : str Name of the ENDF decay directory to process. + data_val : str + The name of the data value to evaluate Returns ------- @@ -519,8 +522,15 @@ def _process_endf_decay_file(self, dir: str) -> dict[str, dict[str: float]]: if not is_valid: continue decay = openmc.data.Decay.from_endf(dir+file) + spectra = decay.spectra half_life = decay.half_life nuc_name = decay.nuclide['name'] + # TODO - continuous normalization? Contains unceratinty? + try: + if 'beta-' in spectra['n']['continuous']['from_mode']: + spectra_continuum = spectra['n']['continuous']['probability'] + except KeyError: + pass data[nuc_name] = dict() modes = decay.modes for mode in modes: @@ -528,11 +538,18 @@ def _process_endf_decay_file(self, dir: str) -> dict[str, dict[str: float]]: if 'n' in products: multiplier = products.count('n') Pn += mode.branching_ratio * multiplier - if Pn.n > 0 and half_life.n > 0 and half_life.n != np.inf: - data[nuc_name]['emission probability'] = Pn.n - data[nuc_name]['sigma emission probability'] = Pn.s - data[nuc_name]['half_life'] = half_life.n - data[nuc_name]['sigma half_life'] = half_life.s + + if data_val == 'spectra': + xs = self.eV_midpoints + for x in xs: + data[nuc_name][x] = spectra_continuum(x) + + else: + if Pn.n > 0 and half_life.n > 0 and half_life.n != np.inf: + data[nuc_name]['emission probability'] = Pn.n + data[nuc_name]['sigma emission probability'] = Pn.s + data[nuc_name]['half_life'] = half_life.n + data[nuc_name]['sigma half_life'] = half_life.s return data def _process_chain_file(self, file: str) -> dict[str, dict[str: float]]: diff --git a/mosden/templates/input_schema.json b/mosden/templates/input_schema.json index 29db8c83..2a9782a1 100644 --- a/mosden/templates/input_schema.json +++ b/mosden/templates/input_schema.json @@ -98,7 +98,12 @@ "emission_probability": { "type": "string", "description": "Path to the emission probability data", - "enum": ["iaea/eval.csv", "endfb80/decay/", "endfb71/decay/", "iaea/eval_test.csv", "iaea/four_dnp_test.csv", "jendl5/decay/", "jeff311/decay/"] + "enum": ["iaea/eval.csv", "endfb80/decay/", "endfb71/decay/", "iaea/eval_test.csv", "iaea/four_dnp_test.csv", "jendl5/decay/", "jeff311/decay/", "jeff40/decay/"] + }, + "spectra": { + "type": "string", + "description": "Path to the spectral data", + "enum": ["endfb80/decay/", "endfb71/decay/", "jendl5/decay/", "jeff311/decay/", "jeff40/decay/", ""] }, "fission_yield": { "type": "string", @@ -329,7 +334,7 @@ }, "energy_groups_MeV": { "type": "array", - "description": "The energy group bounds (inclusive).", + "description": "The energy group bounds (inclusive). Sampling occurs at midpoints.", "items": { "type": "number" diff --git a/mosden/utils/defaults.py b/mosden/utils/defaults.py index c23f9b22..5f4f826b 100644 --- a/mosden/utils/defaults.py +++ b/mosden/utils/defaults.py @@ -32,6 +32,7 @@ "cross_section": "", "emission_probability": "iaea/eval.csv", "fission_yield": "endfb71/nfy/", + "spectra": "", "decay_time_spacing": "log", "temperature_K": 920, "density_g_cm3": 2.3275, From 3e50e268f260c348143a0bddb2463c860d81e587 Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Tue, 21 Apr 2026 09:28:33 -0500 Subject: [PATCH 172/259] Add spectral count rate --- mosden/base.py | 8 +++++ mosden/countrate.py | 63 +++++++++++++++++++++++++++++++++++-- mosden/utils/csv_handler.py | 12 ++++++- 3 files changed, 79 insertions(+), 4 deletions(-) diff --git a/mosden/base.py b/mosden/base.py index 16ecfd27..f8e10865 100644 --- a/mosden/base.py +++ b/mosden/base.py @@ -131,6 +131,10 @@ def __init__(self, input_path: str) -> None: "half_lives": []}) self.energy_groups_MeV: list[float] = group_options.get('energy_groups_MeV', [0, 6.25e-7, 1e3]) self.eV_midpoints: list[float] = [1e6 * (self.energy_groups_MeV[i] + self.energy_groups_MeV[i+1]) / 2 for i in range(len(self.energy_groups_MeV) - 1)] + if len(self.energy_groups_MeV) >= 3: + self.is_spectral_calculation = True + else: + self.is_spectral_calculation = False self.processed_data_dir: str = file_options['processed_data_dir'] self.unprocessed_data_dir: str = file_options['unprocessed_data_dir'] @@ -138,6 +142,10 @@ def __init__(self, input_path: str) -> None: file_options['output_dir'], 'concentrations.csv') self.countrate_path: str = os.path.join( file_options['output_dir'], 'count_rate.csv') + self.spectra_path: str = os.path.join( + file_options['output_dir'], 'spectra.csv') + self.spectra_count_path: str = os.path.join( + file_options['output_dir'], 'spectra_counts.csv') self.group_path: str = os.path.join( file_options['output_dir'], 'group_parameters.csv') self.postproc_path: str = os.path.join( diff --git a/mosden/countrate.py b/mosden/countrate.py index b871ea58..e919d7a6 100644 --- a/mosden/countrate.py +++ b/mosden/countrate.py @@ -58,7 +58,9 @@ def calculate_count_rate(self, half_life_path, create=False).read_csv() self.concentration_data = CSVHandler( self.concentration_path, create=False).read_csv_with_time() - data = self._count_rate_from_data(MC_run, sampler_func) + if self.is_spectral_calculation: + self.spectral_data = CSVHandler(self.spectra_path, create=False).read_csv() + data = self._count_rate_from_data(MC_run, sampler_func, self.is_spectral_calculation, write_data) elif self.count_method == 'groupfit': self.group_params = CSVHandler( self.group_path, create=False).read_vector_csv() @@ -129,9 +131,40 @@ def _count_rate_from_groups(self) -> dict[str: list[float]]: } return data + def _calculate_spectral_count_rate(self, + counts_per_nuc: dict[str, np.ndarray[float]], + use_times: np.ndarray[float]) -> dict[str: np.ndarray[float]]: + """ + Calculates the count rate distributed amongst the energy groups + + Parameters + ---------- + counts_per_nuc : dict[str, np.ndarray[float]] + The delayed neutron count rate over time for each nuclide + use_times : np.ndarray[float] + The time values at which the count rate is evaluated + + Returns + ------- + spectral_counts : dict[float: np.ndarray[float]] + The spectrum evaluated at each point in time + """ + available_nucs = list(set(self.spectral_data.keys()) & set(counts_per_nuc.keys())) + spectral_counts = dict() + for ti, t in enumerate(use_times): + spectral_counts[t] = np.zeros(len(self.eV_midpoints)) + for nuc in available_nucs: + counts = counts_per_nuc[nuc] + spectral_counts[t] += counts[ti] * np.asarray(list(self.spectral_data[nuc].values())) + return spectral_counts + + + def _count_rate_from_data(self, MC_run: bool = False, - sampler_func: str = None + sampler_func: str = None, + spectra_calc: bool = False, + write_s_data: bool = False ) -> dict[str: list[float]]: """ Calculate the delayed neutron count rate from existing data @@ -142,6 +175,11 @@ def _count_rate_from_data(self, Whether to run in Monte Carlo mode, by default False sampler_func : str, optional The sampling function to use for Monte Carlo, by default None + spectra_calc : bool, optional + If true, calculates the energy spectra and returns an additional + dictionary + write_s_data : bool, optional + If true, writes the spectral data Returns ------- @@ -150,6 +188,8 @@ def _count_rate_from_data(self, post_data : dict[str, list[float]] (optional) Sensitivity parameters, specifying the specific sample's values Returned only if `MC_run` is True + spectral_data : dict[str, list[float]] (optional) + Energy spectrum as a function of time """ def sample_parameter(val: ufloat, dist: str) -> float: if isinstance(val, float): @@ -201,6 +241,8 @@ def sample_parameter(val: ufloat, dist: str) -> float: lam_post_data = dict() conc_post_data = dict() + per_nuc_counts = dict() + for nuc in net_similar_nucs: Pn_data = self.emission_prob_data[nuc] Pn = ufloat( @@ -273,6 +315,7 @@ def sample_parameter(val: ufloat, dist: str) -> float: else: counts = (Pn * decay_const * conc * np.exp(-decay_const * use_times)) + per_nuc_counts[nuc] = counts count_rate += counts else: if single_time_val: @@ -286,6 +329,7 @@ def sample_parameter(val: ufloat, dist: str) -> float: try: count_rate += unumpy.nominal_values(counts) + per_nuc_counts[nuc] = unumpy.nominal_values(counts) except ValueError: self.logger.error('Counts shape does not match count rate') self.logger.error(f'{np.shape(use_times) = }') @@ -310,6 +354,16 @@ def sample_parameter(val: ufloat, dist: str) -> float: lam_post_data[nuc] = np.log(2) / decay_const conc_post_data[nuc] = conc + if spectra_calc: + spectral_data = self._calculate_spectral_count_rate(per_nuc_counts, + use_times) + if not MC_run and write_s_data: + CSVHandler( + self.spectra_count_path, + self.count_overwrite).write_count_rate_csv(spectral_data, + is_spectra=True, + col_names=self.eV_midpoints) + data = { 'times': use_times, 'counts': count_rate, @@ -324,7 +378,10 @@ def sample_parameter(val: ufloat, dist: str) -> float: post_data['hlMC'] = lam_post_data post_data['concMC'] = conc_post_data - return data, post_data + if not spectra_calc: + return data, post_data + + return data, post_data, spectral_data if __name__ == '__main__': diff --git a/mosden/utils/csv_handler.py b/mosden/utils/csv_handler.py index 12174bd5..6d6d9094 100644 --- a/mosden/utils/csv_handler.py +++ b/mosden/utils/csv_handler.py @@ -206,7 +206,9 @@ def write_groups_csv(self, data: dict[str: list[float]], sortby: str = 'half_lif return None - def write_count_rate_csv(self, data: dict[str: list[float]]) -> None: + def write_count_rate_csv(self, data: dict[str: list[float]], + is_spectra: bool = False, + col_names: list[float] = None) -> None: """ Write the count rate data to a CSV file. @@ -214,10 +216,18 @@ def write_count_rate_csv(self, data: dict[str: list[float]]) -> None: ---------- data : dict[str: list[float]] The data to write, where keys are nuclides and values are lists of count rates + is_spectra : bool (optional) + If the data is for spectra counts + col_names : list[float] (optional) + New names for each column (for spectra this is the energy bin midpoints) """ if not self.overwrite and self._file_exists(): self.logger.warning(f"File {self.file_path} already exists. Set overwrite=True to overwrite.") df = pd.DataFrame(data) + if is_spectra: + df = df.T + if col_names: + df.columns = col_names df.to_csv(self.file_path, index=False) return None From 9673af7a13dfdf6ee041f98a653d7d1d8b81c49e Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Tue, 21 Apr 2026 09:40:32 -0500 Subject: [PATCH 173/259] Clean up spectral count rate writing (currently not normalized properly) --- mosden/countrate.py | 5 ++--- mosden/utils/csv_handler.py | 31 ++++++++++++++++++++----------- 2 files changed, 22 insertions(+), 14 deletions(-) diff --git a/mosden/countrate.py b/mosden/countrate.py index e919d7a6..3ec28058 100644 --- a/mosden/countrate.py +++ b/mosden/countrate.py @@ -360,9 +360,8 @@ def sample_parameter(val: ufloat, dist: str) -> float: if not MC_run and write_s_data: CSVHandler( self.spectra_count_path, - self.count_overwrite).write_count_rate_csv(spectral_data, - is_spectra=True, - col_names=self.eV_midpoints) + self.count_overwrite).write_spectral_count_csv(spectral_data, + col_names=self.eV_midpoints) data = { 'times': use_times, diff --git a/mosden/utils/csv_handler.py b/mosden/utils/csv_handler.py index 6d6d9094..4d4f8577 100644 --- a/mosden/utils/csv_handler.py +++ b/mosden/utils/csv_handler.py @@ -204,11 +204,28 @@ def write_groups_csv(self, data: dict[str: list[float]], sortby: str = 'half_lif df = df.sort_values(by=sortby, ascending=False) df.to_csv(self.file_path, index=False) return None + + + def write_spectral_count_csv(self, data: dict[str, list[float]], + col_names: list[float]) -> None: + """ + Write the spectral count rate to a CSV file. + + Parameters + ---------- + data : dict[str, list[float]] + The spectral data to write at each time + col_names : list[float] + The energy bins + """ + df = pd.DataFrame.from_dict(data, orient='index', columns=col_names) + df.reset_index(inplace=True) + df.rename(columns={'index': 'time'}, inplace=True) + df.to_csv(self.file_path, index=False) + return None - def write_count_rate_csv(self, data: dict[str: list[float]], - is_spectra: bool = False, - col_names: list[float] = None) -> None: + def write_count_rate_csv(self, data: dict[str: list[float]]) -> None: """ Write the count rate data to a CSV file. @@ -216,18 +233,10 @@ def write_count_rate_csv(self, data: dict[str: list[float]], ---------- data : dict[str: list[float]] The data to write, where keys are nuclides and values are lists of count rates - is_spectra : bool (optional) - If the data is for spectra counts - col_names : list[float] (optional) - New names for each column (for spectra this is the energy bin midpoints) """ if not self.overwrite and self._file_exists(): self.logger.warning(f"File {self.file_path} already exists. Set overwrite=True to overwrite.") df = pd.DataFrame(data) - if is_spectra: - df = df.T - if col_names: - df.columns = col_names df.to_csv(self.file_path, index=False) return None From dee4c612b89a6c65afc3a8452eed22dfabf542b1 Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Tue, 21 Apr 2026 09:51:09 -0500 Subject: [PATCH 174/259] Clean up input schema paths --- mosden/templates/input_schema.json | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/mosden/templates/input_schema.json b/mosden/templates/input_schema.json index 2a9782a1..50d1c2fe 100644 --- a/mosden/templates/input_schema.json +++ b/mosden/templates/input_schema.json @@ -98,12 +98,12 @@ "emission_probability": { "type": "string", "description": "Path to the emission probability data", - "enum": ["iaea/eval.csv", "endfb80/decay/", "endfb71/decay/", "iaea/eval_test.csv", "iaea/four_dnp_test.csv", "jendl5/decay/", "jeff311/decay/", "jeff40/decay/"] + "pattern": "^(?:.*/)?(iaea/eval.csv|iaea/eval_test.csv|iaea/four_dnp_test.csv|jeff40/decay/|jendl5/decay/|endfb80/decay/|endfb71/decay/|jeff311/decay/$" }, "spectra": { "type": "string", "description": "Path to the spectral data", - "enum": ["endfb80/decay/", "endfb71/decay/", "jendl5/decay/", "jeff311/decay/", "jeff40/decay/", ""] + "pattern": "^(?:.*/)?(jeff40/decay/|jendl5/decay/|endfb80/decay/|endfb71/decay/|jeff311/decay/$" }, "fission_yield": { "type": "string", From 6d8818788f18328ac58e3f215b5993c90db14058 Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Tue, 21 Apr 2026 09:52:27 -0500 Subject: [PATCH 175/259] Add missing parens --- mosden/templates/input_schema.json | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/mosden/templates/input_schema.json b/mosden/templates/input_schema.json index 50d1c2fe..e83d8ec6 100644 --- a/mosden/templates/input_schema.json +++ b/mosden/templates/input_schema.json @@ -98,12 +98,12 @@ "emission_probability": { "type": "string", "description": "Path to the emission probability data", - "pattern": "^(?:.*/)?(iaea/eval.csv|iaea/eval_test.csv|iaea/four_dnp_test.csv|jeff40/decay/|jendl5/decay/|endfb80/decay/|endfb71/decay/|jeff311/decay/$" + "pattern": "^(?:.*/)?(iaea/eval.csv|iaea/eval_test.csv|iaea/four_dnp_test.csv|jeff40/decay/|jendl5/decay/|endfb80/decay/|endfb71/decay/|jeff311/decay/)$" }, "spectra": { "type": "string", "description": "Path to the spectral data", - "pattern": "^(?:.*/)?(jeff40/decay/|jendl5/decay/|endfb80/decay/|endfb71/decay/|jeff311/decay/$" + "pattern": "^(?:.*/)?(jeff40/decay/|jendl5/decay/|endfb80/decay/|endfb71/decay/|jeff311/decay/)$" }, "fission_yield": { "type": "string", From e6c50bedc4aedc043162c39804441e61064a6f3a Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Tue, 21 Apr 2026 09:56:01 -0500 Subject: [PATCH 176/259] Add a check to make sure the spectra exists for that nuclide --- mosden/preprocessing.py | 4 +++- 1 file changed, 3 insertions(+), 1 deletion(-) diff --git a/mosden/preprocessing.py b/mosden/preprocessing.py index 3f49f41b..195e8c69 100644 --- a/mosden/preprocessing.py +++ b/mosden/preprocessing.py @@ -525,10 +525,12 @@ def _process_endf_decay_file(self, dir: str, data_val: str) -> dict[str, dict[st spectra = decay.spectra half_life = decay.half_life nuc_name = decay.nuclide['name'] + spectra_exists = False # TODO - continuous normalization? Contains unceratinty? try: if 'beta-' in spectra['n']['continuous']['from_mode']: spectra_continuum = spectra['n']['continuous']['probability'] + spectra_exists = True except KeyError: pass data[nuc_name] = dict() @@ -539,7 +541,7 @@ def _process_endf_decay_file(self, dir: str, data_val: str) -> dict[str, dict[st multiplier = products.count('n') Pn += mode.branching_ratio * multiplier - if data_val == 'spectra': + if data_val == 'spectra' and spectra_exists: xs = self.eV_midpoints for x in xs: data[nuc_name][x] = spectra_continuum(x) From a1e7ba82d7c215a64f6aa973d3c338609aa9ed0b Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Tue, 21 Apr 2026 10:03:05 -0500 Subject: [PATCH 177/259] Fix excess csv writing mismatching counts --- mosden/preprocessing.py | 4 +++- 1 file changed, 3 insertions(+), 1 deletion(-) diff --git a/mosden/preprocessing.py b/mosden/preprocessing.py index 195e8c69..fbbd8b58 100644 --- a/mosden/preprocessing.py +++ b/mosden/preprocessing.py @@ -541,7 +541,9 @@ def _process_endf_decay_file(self, dir: str, data_val: str) -> dict[str, dict[st multiplier = products.count('n') Pn += mode.branching_ratio * multiplier - if data_val == 'spectra' and spectra_exists: + if data_val == 'spectra': + if not spectra_exists: + continue xs = self.eV_midpoints for x in xs: data[nuc_name][x] = spectra_continuum(x) From 95472b2a5d2bd4038d224e5462ac6b354e637d41 Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Tue, 21 Apr 2026 10:09:10 -0500 Subject: [PATCH 178/259] Change time to times --- mosden/utils/csv_handler.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/mosden/utils/csv_handler.py b/mosden/utils/csv_handler.py index 4d4f8577..1d151322 100644 --- a/mosden/utils/csv_handler.py +++ b/mosden/utils/csv_handler.py @@ -220,7 +220,7 @@ def write_spectral_count_csv(self, data: dict[str, list[float]], """ df = pd.DataFrame.from_dict(data, orient='index', columns=col_names) df.reset_index(inplace=True) - df.rename(columns={'index': 'time'}, inplace=True) + df.rename(columns={'index': 'times'}, inplace=True) df.to_csv(self.file_path, index=False) return None From 6e557ea30bc4e40fc4e10a2366d6a26cf9ebd45a Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Tue, 21 Apr 2026 10:14:35 -0500 Subject: [PATCH 179/259] Add a basic single nuclide test case --- tests/integration/test-data/iaea/single_nuc.csv | 3 +++ 1 file changed, 3 insertions(+) create mode 100644 tests/integration/test-data/iaea/single_nuc.csv diff --git a/tests/integration/test-data/iaea/single_nuc.csv b/tests/integration/test-data/iaea/single_nuc.csv new file mode 100644 index 00000000..c0b49c4e --- /dev/null +++ b/tests/integration/test-data/iaea/single_nuc.csv @@ -0,0 +1,3 @@ +File created:2022-02-25 +nucid, Z, A , liso, energy [keV], D energy [keV], beta- %, D beta-, Qbn1,D Qbn1,Qbn2,D Qbn2,Qbn3,D Qbn3, T1/2 [s] , D T1/2 [s], pn1 % ,D pn1, pn2 % ,D pn2 , pn3 % ,D pn3 +87BR,35,87,0,0,0,100,0,1302.7,3.2,0,0,0,0,55.64,0.15,2.53,0.10,0,-1,0,-1 \ No newline at end of file From 59b039c745ed6fe1008287283f4e3c4ebd01f599 Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Tue, 21 Apr 2026 10:16:12 -0500 Subject: [PATCH 180/259] Add single nuc to schema --- mosden/templates/input_schema.json | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/mosden/templates/input_schema.json b/mosden/templates/input_schema.json index e83d8ec6..c93b8225 100644 --- a/mosden/templates/input_schema.json +++ b/mosden/templates/input_schema.json @@ -84,7 +84,7 @@ "description": "Path to the half-life unprocessed data", "oneOf": [ { - "enum": ["iaea/eval.csv", "endfb80/decay/", "endfb71/decay/", "iaea/eval_test.csv", "iaea/four_dnp_test.csv", "jendl5/decay/", "jeff311/decay/"] + "enum": ["iaea/eval.csv", "iaea/single_nuc.csv", "endfb80/decay/", "endfb71/decay/", "iaea/eval_test.csv", "iaea/four_dnp_test.csv", "jendl5/decay/", "jeff311/decay/"] }, { "pattern": "^([A-Za-z0-9]+/)?omcchain/.+\\.xml" @@ -98,7 +98,7 @@ "emission_probability": { "type": "string", "description": "Path to the emission probability data", - "pattern": "^(?:.*/)?(iaea/eval.csv|iaea/eval_test.csv|iaea/four_dnp_test.csv|jeff40/decay/|jendl5/decay/|endfb80/decay/|endfb71/decay/|jeff311/decay/)$" + "pattern": "^(?:.*/)?(iaea/eval.csv|iaea/single_nuc.csv|iaea/eval_test.csv|iaea/four_dnp_test.csv|jeff40/decay/|jendl5/decay/|endfb80/decay/|endfb71/decay/|jeff311/decay/)$" }, "spectra": { "type": "string", From d7413ea6454809c4533bf39864b287530a0faffc Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Tue, 21 Apr 2026 11:11:21 -0500 Subject: [PATCH 181/259] Set up normalization and add test to make sure counts are distributed --- mosden/base.py | 5 +- mosden/preprocessing.py | 7 ++- tests/integration/test-data/input9.json | 61 +++++++++++++++++++++++++ tests/integration/test_countrate.py | 55 +++++++++++++++++++++- 4 files changed, 125 insertions(+), 3 deletions(-) create mode 100644 tests/integration/test-data/input9.json diff --git a/mosden/base.py b/mosden/base.py index f8e10865..e3abcc0b 100644 --- a/mosden/base.py +++ b/mosden/base.py @@ -130,7 +130,7 @@ def __init__(self, input_path: str) -> None: self.initial_params: dict = group_options.get('initial_params', {'yields': [], "half_lives": []}) self.energy_groups_MeV: list[float] = group_options.get('energy_groups_MeV', [0, 6.25e-7, 1e3]) - self.eV_midpoints: list[float] = [1e6 * (self.energy_groups_MeV[i] + self.energy_groups_MeV[i+1]) / 2 for i in range(len(self.energy_groups_MeV) - 1)] + self.eV_midpoints: list[float] = self._get_midpoint_eVs(self.energy_groups_MeV) if len(self.energy_groups_MeV) >= 3: self.is_spectral_calculation = True else: @@ -189,6 +189,9 @@ def __init__(self, input_path: str) -> None: def time_track(self, starttime: float, modulename: str = '') -> None: self.logger.info(f'{modulename} took {round(time() - starttime, 3)}s') return None + + def _get_midpoint_eVs(self, energy_groups_MeV: list[float]) -> list[float]: + return ([1e6 * (self.energy_groups_MeV[i] + self.energy_groups_MeV[i+1]) / 2 for i in range(len(self.energy_groups_MeV) - 1)]) def _get_use_times(self, single_time_val: bool=False) -> np.ndarray[float]: """ diff --git a/mosden/preprocessing.py b/mosden/preprocessing.py index fbbd8b58..79a14c91 100644 --- a/mosden/preprocessing.py +++ b/mosden/preprocessing.py @@ -545,8 +545,13 @@ def _process_endf_decay_file(self, dir: str, data_val: str) -> dict[str, dict[st if not spectra_exists: continue xs = self.eV_midpoints + sum_normalization = list() for x in xs: - data[nuc_name][x] = spectra_continuum(x) + sum_normalization.append(spectra_continuum(x)) + sum_normalization.sort() + sum_normalization = np.sum(sum_normalization) + for x in xs: + data[nuc_name][x] = spectra_continuum(x) / sum_normalization else: if Pn.n > 0 and half_life.n > 0 and half_life.n != np.inf: diff --git a/tests/integration/test-data/input9.json b/tests/integration/test-data/input9.json new file mode 100644 index 00000000..635c68ae --- /dev/null +++ b/tests/integration/test-data/input9.json @@ -0,0 +1,61 @@ +{ + "name": "spectra test", + "file_options": { + "overwrite": { + "preprocessing": true, + "concentrations": true, + "count_rate": true, + "group_fitting": true, + "postprocessing": true + }, + "unprocessed_data_dir": "./tests/integration/test-data", + "processed_data_dir": "./tests/integration/output9", + "output_dir": "./tests/integration/output9", + "log_level": 15, + "log_file": "./tests/integration/output9/log.log" + }, + "data_options": { + "half_life": "iaea/single_nuc.csv", + "cross_section": "", + "emission_probability": "iaea/single_nuc.csv", + "fission_yield": "../../../mosden/data/unprocessed/endfb71/nfy/", + "spectra": "../../../mosden/data/unprocessed/endfb71/decay/", + "decay_time_spacing": "log", + "temperature_K": 920, + "density_g_cm3": 2.3275, + "energy_MeV": 0.0253e-6, + "fissile_fractions": { + "U235": 0.95, + "U238": 0.05 + } + }, + "modeling_options": { + "parent_feeding": false, + "concentration_handling": "CFY", + "count_rate_handling": "data", + "reprocessing_locations": ["excore"], + "base_removal_scaling": 1.0, + "spatial_scaling":{ + "flux": true, + "reprocessing": false + }, + "reprocessing": { + "Xe": 1.0 + }, + "irrad_type": "saturation", + "incore_s": 10, + "excore_s": 10, + "net_irrad_s": 420, + "decay_time": 600, + "num_decay_times": 100 + }, + "group_options": { + "num_groups": 6, + "method": "nlls", + "energy_groups_MeV": [0, 6e-7, 100], + "_energy_groups_MeV": [0,3.00E-09,5.00E-09,6.90E-09,1.00E-08,1.50E-08,2.00E-08,2.50E-08,3.00E-08,3.50E-08,4.20E-08,5.00E-08,5.80E-08,6.70E-08,7.70E-08,8.00E-08,9.50E-08,1.00E-07,1.15E-07,1.34E-07,1.40E-07,1.60E-07,1.80E-07,1.89E-07,2.20E-07,2.48E-07,2.80E-07,3.00E-07,3.15E-07,3.20E-07,3.50E-07,3.91E-07,4.00E-07,4.33E-07,4.85E-07,5.00E-07,5.40E-07,6.25E-07,7.05E-07,7.80E-07,7.90E-07,8.50E-07,8.60E-07,9.10E-07,9.30E-07,9.50E-07,9.72E-07,9.86E-07,9.96E-07,1.02E-06,1.04E-06,1.05E-06,1.07E-06,1.10E-06,1.11E-06,1.13E-06,1.15E-06,1.17E-06,1.24E-06,1.30E-06,1.34E-06,1.37E-06,1.44E-06,1.48E-06,1.50E-06,1.59E-06,1.67E-06,1.76E-06,1.84E-06,1.93E-06,2.02E-06,2.10E-06,2.13E-06,2.36E-06,2.55E-06,2.60E-06,2.72E-06,2.77E-06,3.30E-06,3.38E-06,4.00E-06,4.13E-06,5.04E-06,5.35E-06,6.16E-06,7.52E-06,8.32E-06,9.19E-06,9.91E-06,1.12E-05,1.37E-05,1.59E-05,1.95E-05,2.26E-05,2.50E-05,2.76E-05,3.05E-05,3.37E-05,3.73E-05,4.02E-05,4.55E-05,4.83E-05,5.16E-05,5.56E-05,6.79E-05,7.57E-05,9.17E-05,1.37E-04,1.49E-04,2.04E-04,3.04E-04,3.72E-04,4.54E-04,6.77E-04,7.49E-04,9.14E-04,1.01E-03,1.23E-03,1.43E-03,1.51E-03,2.03E-03,2.25E-03,3.35E-03,3.53E-03,5.00E-03,5.50E-03,7.47E-03,9.12E-03,1.11E-02,1.50E-02,1.66E-02,2.48E-02,2.74E-02,2.93E-02,3.70E-02,4.09E-02,5.52E-02,6.74E-02,8.23E-02,1.11E-01,1.23E-01,1.83E-01,2.47E-01,2.73E-01,3.02E-01,4.08E-01,4.50E-01,4.98E-01,5.50E-01,6.08E-01,8.21E-01,9.07E-01,1.00E+00,1.11E+00,1.22E+00,1.35E+00,1.65E+00,2.02E+00,2.23E+00,2.47E+00,3.01E+00,3.68E+00,4.49E+00,5.49E+00,6.07E+00,6.70E+00,8.19E+00,1.00E+01,1.00E+03], + "samples": 1, + "sample_func": "normal", + "seed": 1 + } +} diff --git a/tests/integration/test_countrate.py b/tests/integration/test_countrate.py index 5fbe81c9..93d613dd 100644 --- a/tests/integration/test_countrate.py +++ b/tests/integration/test_countrate.py @@ -1,6 +1,8 @@ from mosden.countrate import CountRate from pathlib import Path from mosden.utils.csv_handler import CSVHandler +from mosden.preprocessing import Preprocess +from mosden.concentrations import Concentrations import numpy as np import pytest import os @@ -36,4 +38,55 @@ def test_calculate_count_rate(input_path, reference_output_path): for key in data.keys(): assert np.all(np.isclose(data[key], reference_data[key])), f"Data mismatch for {key}" - return \ No newline at end of file + return + + +def test_spectra_counts(): + input_path = 'tests/integration/test-data/input9.json' + Preprocess(input_path).run() + Concentrations(input_path).generate_concentrations() + countrate = CountRate(input_path) + countrate.calculate_count_rate() + + counts_path = Path(countrate.output_dir) / "count_rate.csv" + assert counts_path.exists(), "Count rate does not exist" + + spectra_path = Path(countrate.output_dir) / "spectra_counts.csv" + assert spectra_path.exists(), "Spectral count rate does not exist" + + countrate_data = CSVHandler(counts_path, create=False).read_vector_csv() + spectra_data = CSVHandler(spectra_path, create=False).read_vector_csv() + + assert countrate_data['times'] == spectra_data['times'], "Times do not match" + + for ti in range(len(countrate_data['times'])): + counts = countrate_data['counts'][ti] + spectral_energies = countrate.eV_midpoints + spectral_rates = [spectra_data[str(e)][ti] for e in spectral_energies] + spectral_counts = np.sum(spectral_rates) + assert np.isclose(counts, spectral_counts), f"Count rates do not match at {ti}" + + countrate.energy_groups_MeV = [0,3.00E-09,5.00E-09,6.90E-09,1.00E-08,1.50E-08,2.00E-08,2.50E-08,3.00E-08,3.50E-08,4.20E-08,5.00E-08,5.80E-08,6.70E-08,7.70E-08,8.00E-08,9.50E-08,1.00E-07,1.15E-07,1.34E-07,1.40E-07,1.60E-07,1.80E-07,1.89E-07,2.20E-07,2.48E-07,2.80E-07,3.00E-07,3.15E-07,3.20E-07,3.50E-07,3.91E-07,4.00E-07,4.33E-07,4.85E-07,5.00E-07,5.40E-07,6.25E-07,7.05E-07,7.80E-07,7.90E-07,8.50E-07,8.60E-07,9.10E-07,9.30E-07,9.50E-07,9.72E-07,9.86E-07,9.96E-07,1.02E-06,1.04E-06,1.05E-06,1.07E-06,1.10E-06,1.11E-06,1.13E-06,1.15E-06,1.17E-06,1.24E-06,1.30E-06,1.34E-06,1.37E-06,1.44E-06,1.48E-06,1.50E-06,1.59E-06,1.67E-06,1.76E-06,1.84E-06,1.93E-06,2.02E-06,2.10E-06,2.13E-06,2.36E-06,2.55E-06,2.60E-06,2.72E-06,2.77E-06,3.30E-06,3.38E-06,4.00E-06,4.13E-06,5.04E-06,5.35E-06,6.16E-06,7.52E-06,8.32E-06,9.19E-06,9.91E-06,1.12E-05,1.37E-05,1.59E-05,1.95E-05,2.26E-05,2.50E-05,2.76E-05,3.05E-05,3.37E-05,3.73E-05,4.02E-05,4.55E-05,4.83E-05,5.16E-05,5.56E-05,6.79E-05,7.57E-05,9.17E-05,1.37E-04,1.49E-04,2.04E-04,3.04E-04,3.72E-04,4.54E-04,6.77E-04,7.49E-04,9.14E-04,1.01E-03,1.23E-03,1.43E-03,1.51E-03,2.03E-03,2.25E-03,3.35E-03,3.53E-03,5.00E-03,5.50E-03,7.47E-03,9.12E-03,1.11E-02,1.50E-02,1.66E-02,2.48E-02,2.74E-02,2.93E-02,3.70E-02,4.09E-02,5.52E-02,6.74E-02,8.23E-02,1.11E-01,1.23E-01,1.83E-01,2.47E-01,2.73E-01,3.02E-01,4.08E-01,4.50E-01,4.98E-01,5.50E-01,6.08E-01,8.21E-01,9.07E-01,1.00E+00,1.11E+00,1.22E+00,1.35E+00,1.65E+00,2.02E+00,2.23E+00,2.47E+00,3.01E+00,3.68E+00,4.49E+00,5.49E+00,6.07E+00,6.70E+00,8.19E+00,1.00E+01,1.00E+03] + countrate.eV_midpoints = countrate._get_midpoint_eVs(countrate.energy_groups_MeV) + os.remove(counts_path) + os.remove(spectra_path) + + assert not counts_path.exists(), "Count rate was not removed" + assert not spectra_path.exists(), "Spectral count rate was not removed" + + + preproc = Preprocess(input_path) + preproc.eV_midpoints = countrate.eV_midpoints + preproc.run() + countrate.calculate_count_rate() + countrate_data = CSVHandler(counts_path, create=False).read_vector_csv() + spectra_data = CSVHandler(spectra_path, create=False).read_vector_csv() + + assert countrate_data['times'] == spectra_data['times'], "Times do not match" + + for ti in range(len(countrate_data['times'])): + counts = countrate_data['counts'][ti] + spectral_energies = countrate.eV_midpoints + spectral_rates = [spectra_data[str(e)][ti] for e in spectral_energies] + spectral_counts = np.sum(spectral_rates) + assert np.isclose(counts, spectral_counts), f"Count rates do not match at {ti}" \ No newline at end of file From 1b09221a00c97ccec3a63e95f6cbf3ef0cfb2e99 Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Tue, 21 Apr 2026 12:07:55 -0500 Subject: [PATCH 182/259] Add test to ensure spectra matches counts --- tests/integration/test_countrate.py | 8 +++++++- 1 file changed, 7 insertions(+), 1 deletion(-) diff --git a/tests/integration/test_countrate.py b/tests/integration/test_countrate.py index 93d613dd..3e5112f7 100644 --- a/tests/integration/test_countrate.py +++ b/tests/integration/test_countrate.py @@ -89,4 +89,10 @@ def test_spectra_counts(): spectral_energies = countrate.eV_midpoints spectral_rates = [spectra_data[str(e)][ti] for e in spectral_energies] spectral_counts = np.sum(spectral_rates) - assert np.isclose(counts, spectral_counts), f"Count rates do not match at {ti}" \ No newline at end of file + assert np.isclose(counts, spectral_counts), f"Count rates do not match at {ti}" + + br87_spectra = np.asarray([countrate.spectral_data['Br87'][str(e)] for e in spectral_energies]) + expected_spectral_counts = br87_spectra * countrate_data['counts'][0] + spectral_counts = [spectra_data[str(e)][0] for e in spectral_energies] + + assert np.allclose(expected_spectral_counts, spectral_counts) \ No newline at end of file From 94f7c64e5d10950a0cb1b8bcfcb12a582771cc45 Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Tue, 21 Apr 2026 13:52:38 -0500 Subject: [PATCH 183/259] Adjust defaults and template for tests to ignore spectra --- mosden/templates/input_schema.json | 2 +- mosden/utils/defaults.py | 2 +- 2 files changed, 2 insertions(+), 2 deletions(-) diff --git a/mosden/templates/input_schema.json b/mosden/templates/input_schema.json index c93b8225..ad7f0bde 100644 --- a/mosden/templates/input_schema.json +++ b/mosden/templates/input_schema.json @@ -103,7 +103,7 @@ "spectra": { "type": "string", "description": "Path to the spectral data", - "pattern": "^(?:.*/)?(jeff40/decay/|jendl5/decay/|endfb80/decay/|endfb71/decay/|jeff311/decay/)$" + "pattern": "^(?:.*/)?(jeff40/decay/|jendl5/decay/|endfb80/decay/|endfb71/decay/|jeff311/decay/|)$" }, "fission_yield": { "type": "string", diff --git a/mosden/utils/defaults.py b/mosden/utils/defaults.py index 5f4f826b..8672b5d4 100644 --- a/mosden/utils/defaults.py +++ b/mosden/utils/defaults.py @@ -78,7 +78,7 @@ "group_options": { "num_groups": 6, "method": "nlls", - "energy_groups_MeV": [0, 6.25e-7, 1e3], + "energy_groups_MeV": [], "parameter_guesses": 50, "initial_params": { "yields": [], From b6767352d8dbe9a9e7feb45044211b56ab9525dd Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Tue, 21 Apr 2026 15:37:09 -0500 Subject: [PATCH 184/259] Clean up formatting --- mosden/countrate.py | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/mosden/countrate.py b/mosden/countrate.py index 3ec28058..22d4c16a 100644 --- a/mosden/countrate.py +++ b/mosden/countrate.py @@ -133,7 +133,7 @@ def _count_rate_from_groups(self) -> dict[str: list[float]]: def _calculate_spectral_count_rate(self, counts_per_nuc: dict[str, np.ndarray[float]], - use_times: np.ndarray[float]) -> dict[str: np.ndarray[float]]: + use_times: np.ndarray[float]) -> dict[str, np.ndarray[float]]: """ Calculates the count rate distributed amongst the energy groups @@ -146,7 +146,7 @@ def _calculate_spectral_count_rate(self, Returns ------- - spectral_counts : dict[float: np.ndarray[float]] + spectral_counts : dict[float, np.ndarray[float]] The spectrum evaluated at each point in time """ available_nucs = list(set(self.spectral_data.keys()) & set(counts_per_nuc.keys())) From 997f12b47a18cabaf59b8ebea1b3b2968267c44c Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Tue, 21 Apr 2026 15:37:28 -0500 Subject: [PATCH 185/259] Add spectra to group fit (still in progress) --- mosden/groupfit.py | 102 +++++++++++++++++++++++++++++++++++++++++---- 1 file changed, 93 insertions(+), 9 deletions(-) diff --git a/mosden/groupfit.py b/mosden/groupfit.py index 7c06bb7b..dd6ab878 100644 --- a/mosden/groupfit.py +++ b/mosden/groupfit.py @@ -61,7 +61,8 @@ def _residual_function( irrad_counts: np.ndarray[float], irrad_times: np.ndarray[float], irrad_denom: np.ndarray[float], - fit_func: Callable) -> float: + fit_func: Callable, + is_spectra: bool = False) -> float: """ Calculate the residual of the current set of parameters @@ -85,6 +86,8 @@ def _residual_function( relative residual during irradiation fit_func : Callable Function that takes times and parameters to return list of counts + is_spectra : bool (optional) + True if calculating spectra Returns ------- @@ -95,7 +98,10 @@ def _residual_function( if len(irrad_times) != 0: irrad_residual = ((irrad_counts - self._get_irrad_counts(irrad_times, parameters)) / (irrad_denom)) irrad_residual = np.nan_to_num(irrad_residual) - post_residual = (counts - fit_func(times, parameters)) / (residual_denom) + if is_spectra: + post_residual = (counts - fit_func(None, None, parameters)) / (residual_denom) + else: + post_residual = (counts - fit_func(times, parameters)) / (residual_denom) residual = np.concatenate((irrad_residual, post_residual)) return residual @@ -191,7 +197,8 @@ def _get_irrad_counts(self, def _pulse_fit_function(self, times: np.ndarray[float | object], - parameters: np.ndarray[float | object] + parameters: np.ndarray[float | object], + spectral_vector: np.ndarray[float | object] = None ) -> np.ndarray[float | object]: """ Fit function for a pulse irradiation @@ -202,6 +209,8 @@ def _pulse_fit_function(self, Times at which to evaluate the fit function parameters : np.ndarray[float|object] Fit parameters for the model + spectral_vector : np.ndarray[float|object] + The delayed neutron spectrum for a single energy bin Returns ------- @@ -211,6 +220,8 @@ def _pulse_fit_function(self, yields = parameters[:self.num_groups] half_lives = parameters[self.num_groups:] counts: np.ndarray[float] = np.zeros(len(times)) + if spectral_vector is None: + spectral_vector = np.ones_like(yields) irrad_dt = 1 if self.fission_times: irrad_dt = np.diff(self.fission_times)[0] @@ -223,12 +234,13 @@ def _pulse_fit_function(self, if group == 0: counts: np.ndarray[object] = np.zeros( len(times), dtype=object) - counts += (a * lam * unumpy.exp(-lam * times)) + counts += spectral_vector[group] * (a * lam * unumpy.exp(-lam * times)) return counts * self.refined_fission_term * irrad_dt def _saturation_fit_function(self, times: np.ndarray[float | object], - parameters: np.ndarray[float | object] + parameters: np.ndarray[float | object], + spectral_vector: np.ndarray[float | object] = None ) -> np.ndarray[float | object]: """ Fit function for a saturation irradiation @@ -239,6 +251,8 @@ def _saturation_fit_function(self, Times at which to evaluate the fit function parameters : np.ndarray[float|object] Fit parameters for the model + spectral_vector : np.ndarray[float|object] + The delayed neutron spectrum for a single energy bin Returns ------- @@ -248,6 +262,8 @@ def _saturation_fit_function(self, yields = parameters[:self.num_groups] half_lives = parameters[self.num_groups:] counts: np.ndarray[float] = np.zeros(len(times)) + if spectral_vector is None: + spectral_vector = np.ones_like(yields) try: np.exp(-np.log(2)/half_lives[0]) @@ -263,7 +279,7 @@ def _saturation_fit_function(self, fiss_term = self._get_saturation_fission_term(lam, exp) group_counts = fiss_term * exp(-lam*times) * nu - counts += group_counts + counts += spectral_vector[group] * group_counts return counts def _get_saturation_fission_term(self, lam: float, exp: Callable) -> float: @@ -289,7 +305,8 @@ def _get_saturation_fission_term(self, lam: float, exp: Callable) -> float: def _intermediate_numerical_fit_function(self, times: np.ndarray[float | object], - parameters: np.ndarray[float | object] + parameters: np.ndarray[float | object], + spectral_vector: np.ndarray[float | object] = None ) -> np.ndarray[float | object]: """ Fit function for any irradiation using numerical integration @@ -300,6 +317,8 @@ def _intermediate_numerical_fit_function(self, Times at which to evaluate the fit function parameters : np.ndarray[float|object] Fit parameters for the model + spectral_vector : np.ndarray[float|object] + The delayed neutron spectrum for a single energy bin Returns ------- @@ -309,6 +328,8 @@ def _intermediate_numerical_fit_function(self, num_groups = int(len(parameters) / 2) yields = parameters[:num_groups] half_lives = parameters[num_groups:] + if spectral_vector is None: + spectral_vector = np.ones_like(yields) try: np.exp(-np.log(2)/half_lives[0]) exp = np.exp @@ -326,7 +347,7 @@ def _intermediate_numerical_fit_function(self, nu = unumpy.uarray([v.n for v in yields], [v.s for v in yields]) count_exponential = exp(-lam[:, None] * times[None, :]) - group_counts = nu[:, None] * count_exponential + group_counts = spectral_vector[:, None] * nu[:, None] * count_exponential counts = np.sum(group_counts, axis=0) return counts @@ -531,6 +552,63 @@ def _plot_correlation_heatmap(self, correlation_matrix: np.ndarray[float]) -> No plt.savefig(f'{self.img_dir}correlation_heatmap.png') plt.close() + def _spectra_group_solve(self, spectral_counts: dict[float, np.ndarray[float]], + sorted_params: np.ndarray[float|object], + residual_denom: np.ndarray[float], + fit_function: Callable) -> np.ndarray[np.ndarray[float]]: + """ + Calculate the group spectra using the counts with spectral data and the + group parameters + TODO - Only calculated using post-irrad data. Does not currently include + functionality for calculation using mid-irradiation data. Needs + `_get_irrad_counts` to be updated as well to enable this. + TODO - Does not have chi-squared statistic implemented properly (called + only using residual_denom==spectral_counts) + + Parameters + ---------- + spectral_counts : dict[float, np.ndarray[float]] + The counts at each time (key) as a numpy array for each energy bin + sorted_params : np.ndarray[float | object] + The group parameters (half-life and yield) + residual_denom : np.ndarray[float] + List of count errors for chi-square measure or list of counts for + relative residual + + fit_func : Callable + Function that takes times and parameters to return list of counts + + Returns + ------- + group_spectra : np.ndarray[np.ndarray[float]] + The spectra for each group as an array, where each array is by energy + """ + x0 = np.ones_like(self.eV_midpoints) + times = np.asarray(spectral_counts['times']) + group_spectra = np.zeros((self.num_groups, len(self.eV_midpoints))) + lower_bounds = np.zeros_like(x0) + upper_bounds = np.ones_like(x0) + bounds = (lower_bounds, upper_bounds) + spectra_function = lambda a, b, x: fit_function(times, sorted_params, x) + for ei, e in enumerate(tqdm(self.eV_midpoints, desc='Solving spectra')): + e_counts = np.zeros(len(times)) + for ti, t in enumerate(times): + e_counts[ti] = spectral_counts[str(e)][ti] + + result = least_squares(self._residual_function, + x0, + method='trf', + x_scale='jac', + bounds=bounds, + ftol=1e-6, + gtol=1e-6, + xtol=1e-6, + verbose=0, + max_nfev=1e6, + args=(times, e_counts, e_counts, [], [], [], spectra_function, True)) + for group in range(self.num_groups): + group_spectra[group][ei] = result.x[group] + return group_spectra def _nonlinear_least_squares(self, count_data: dict[str: np.ndarray[float]] = None, @@ -618,7 +696,7 @@ def _nonlinear_least_squares(self, irrad_denom = irrad_counts best = None - for x0 in tqdm(starts): + for x0 in tqdm(starts, desc='Attempting various initial parameters'): try: result = least_squares(self._residual_function, x0, @@ -643,7 +721,12 @@ def _nonlinear_least_squares(self, sorted_params = self._sort_params_by_half_life(result.x) sorted_params = self._restructure_intermediate_yields(sorted_params) + if self.is_spectral_calculation: + spectral_counts = CSVHandler(self.spectra_count_path, create=False).read_vector_csv() + spectra_params = self._spectra_group_solve(spectral_counts, sorted_params, + spectral_counts, fit_function) sampled_params.append(sorted_params) + input(spectra_params) sort_idx = np.array([np.argmin(np.abs(result.x[self.num_groups:] - hl)) for hl in sorted_params[self.num_groups:]]) perm = np.concatenate([sort_idx, sort_idx + self.num_groups]) @@ -671,6 +754,7 @@ def _nonlinear_least_squares(self, for _ in tqdm(range(1, self.MC_samples), desc='Solving least-squares'): with warnings.catch_warnings(): warnings.simplefilter('ignore') + # TODO - This is also returning spectral data now data, post_data = countrate.calculate_count_rate( MC_run=True, sampler_func=self.sample_func) post_data_save.append(post_data) From 800b921c21ee6320a56bd5a18cabd664438858e6 Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Wed, 22 Apr 2026 09:31:57 -0500 Subject: [PATCH 186/259] Adjust test 7 and 8 to use 2 groups instead of 6 (overfitting) --- tests/integration/test-data/input7.json | 2 +- tests/integration/test-data/input8.json | 2 +- .../test-data/reference/test7/group_parameters.csv | 8 ++------ .../test-data/reference/test8/group_parameters.csv | 8 ++------ 4 files changed, 6 insertions(+), 14 deletions(-) diff --git a/tests/integration/test-data/input7.json b/tests/integration/test-data/input7.json index c32bf61f..b7820e44 100644 --- a/tests/integration/test-data/input7.json +++ b/tests/integration/test-data/input7.json @@ -44,7 +44,7 @@ "num_decay_times": 100 }, "group_options": { - "num_groups": 6, + "num_groups": 2, "method": "nlls", "samples": 1, "sample_func": "normal", diff --git a/tests/integration/test-data/input8.json b/tests/integration/test-data/input8.json index 57759f56..f872cf50 100644 --- a/tests/integration/test-data/input8.json +++ b/tests/integration/test-data/input8.json @@ -49,7 +49,7 @@ "num_decay_times": 100 }, "group_options": { - "num_groups": 6, + "num_groups": 2, "method": "nlls", "samples": 1, "sample_func": "normal", diff --git a/tests/integration/test-data/reference/test7/group_parameters.csv b/tests/integration/test-data/reference/test7/group_parameters.csv index 1eb45980..3a534ab4 100644 --- a/tests/integration/test-data/reference/test7/group_parameters.csv +++ b/tests/integration/test-data/reference/test7/group_parameters.csv @@ -1,7 +1,3 @@ yield,sigma yield,half_life,sigma half_life -0.017041046384118918,0.0008639306035223001,100.00002156583514,0.7105732355010584 -0.023208159409418318,0.0015006999802943087,100.00000137754972,0.9643684037931216 -0.026306309779646958,0.0020084692350241223,99.99998481445586,1.0901694722667574 -0.000480664324960716,0.0026450127278598006,55.63999999928929,124.46097264385004 -5.299596851593809e-19,0.00012416985948099173,0.03390599072372068,0.0 -2.5919968863362528e-16,0.0002802871597496036,0.003479308082222027,0.0 +0.06655551557317115,0.0026165120008598284,99.99999999999368,0.9386501314014559 +0.00048066432497376736,0.0026156987435848726,55.639999999608534,121.91699136519989 diff --git a/tests/integration/test-data/reference/test8/group_parameters.csv b/tests/integration/test-data/reference/test8/group_parameters.csv index c5b371ca..46c8d03c 100644 --- a/tests/integration/test-data/reference/test8/group_parameters.csv +++ b/tests/integration/test-data/reference/test8/group_parameters.csv @@ -1,7 +1,3 @@ yield,sigma yield,half_life,sigma half_life -0.0009100395326809338,0.00014742186112088321,99.99999999996918,3.3005310142579027 -0.000480664324984455,7.541173974724392e-05,55.639999999886726,12.14143731510436 -4.382957100299692e-20,9.52310664177452e-05,30.39395915944596,0.0 -1.7380910115301536e-23,8.101347375691564e-06,0.037400631004347595,0.0 -2.1897841624766575e-17,0.000974665610880612,0.001671243962714721,0.0 -1.2364105579752574e-22,0.0009707072037016715,0.0010061261102621032,0.0 +0.0009100395326809355,6.543693432634116e-05,99.99999999996913,1.6186544279167716 +0.0004806643249844542,6.509408116251724e-05,55.6399999998866,3.4838598302662294 From 2784dcf1c014448d9bbc3d5e78c8131c9f1edf33 Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Wed, 22 Apr 2026 11:30:22 -0500 Subject: [PATCH 187/259] Correct implementation to use numerical integration --- mosden/base.py | 2 ++ mosden/preprocessing.py | 44 +++++++++++++++++++++++------ tests/integration/test_countrate.py | 1 + 3 files changed, 38 insertions(+), 9 deletions(-) diff --git a/mosden/base.py b/mosden/base.py index e3abcc0b..30b6562f 100644 --- a/mosden/base.py +++ b/mosden/base.py @@ -146,6 +146,8 @@ def __init__(self, input_path: str) -> None: file_options['output_dir'], 'spectra.csv') self.spectra_count_path: str = os.path.join( file_options['output_dir'], 'spectra_counts.csv') + self.spectra_group_path: str = os.path.join( + file_options['output_dir'], 'group_spectra.csv') self.group_path: str = os.path.join( file_options['output_dir'], 'group_parameters.csv') self.postproc_path: str = os.path.join( diff --git a/mosden/preprocessing.py b/mosden/preprocessing.py index 79a14c91..42687cdf 100644 --- a/mosden/preprocessing.py +++ b/mosden/preprocessing.py @@ -5,6 +5,7 @@ import re from uncertainties import ufloat from time import time +from typing import Callable class Preprocess(BaseClass): @@ -495,6 +496,38 @@ def _process_jeff_nfy_file(self, file: str) -> dict[str, dict[str: float]]: data[nuc]['sigma CFY'] = fit_FY_nfy[nuc].s return data + def _spectral_application(self, spectra_continuum: Callable) -> dict[float, float]: + """ + Calculate the spectra for a given nuclide properly normalized + + Parameters + ---------- + spectra_continuum : Callable + Function that takes in energy and returns the probability at that + energy. + + Returns + ------- + data_dict : dict[float, float] + Dictionary of energy midpoints to probabilities + """ + from scipy.integrate import quad + data_dict = dict() + a = np.asarray(self.energy_groups_MeV[:-1]) * 1e6 + b = np.asarray(self.energy_groups_MeV[1:]) * 1e6 + normalization = 0 + region_integrals = list() + for i, e in enumerate(self.eV_midpoints): + region_integral, err = quad(spectra_continuum, a[i], b[i]) + normalization += region_integral + region_integrals.append(region_integral) + if normalization == 0: + normalization = 1 + for i, e in enumerate(self.eV_midpoints): + data_dict[e] = region_integrals[i] / normalization + return data_dict + + def _process_endf_decay_file(self, dir: str, data_val: str) -> dict[str, dict[str: float]]: """ @@ -526,7 +559,6 @@ def _process_endf_decay_file(self, dir: str, data_val: str) -> dict[str, dict[st half_life = decay.half_life nuc_name = decay.nuclide['name'] spectra_exists = False - # TODO - continuous normalization? Contains unceratinty? try: if 'beta-' in spectra['n']['continuous']['from_mode']: spectra_continuum = spectra['n']['continuous']['probability'] @@ -544,14 +576,8 @@ def _process_endf_decay_file(self, dir: str, data_val: str) -> dict[str, dict[st if data_val == 'spectra': if not spectra_exists: continue - xs = self.eV_midpoints - sum_normalization = list() - for x in xs: - sum_normalization.append(spectra_continuum(x)) - sum_normalization.sort() - sum_normalization = np.sum(sum_normalization) - for x in xs: - data[nuc_name][x] = spectra_continuum(x) / sum_normalization + + data[nuc_name] = self._spectral_application(spectra_continuum) else: if Pn.n > 0 and half_life.n > 0 and half_life.n != np.inf: diff --git a/tests/integration/test_countrate.py b/tests/integration/test_countrate.py index 3e5112f7..356fcb49 100644 --- a/tests/integration/test_countrate.py +++ b/tests/integration/test_countrate.py @@ -76,6 +76,7 @@ def test_spectra_counts(): preproc = Preprocess(input_path) + preproc.energy_groups_MeV = countrate.energy_groups_MeV preproc.eV_midpoints = countrate.eV_midpoints preproc.run() countrate.calculate_count_rate() From de2086b3b449303250f28cfb62eda5e0ab36d156 Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Wed, 22 Apr 2026 11:37:26 -0500 Subject: [PATCH 188/259] Reformat normalization calculation to avoid cancelling small values --- mosden/preprocessing.py | 3 +-- 1 file changed, 1 insertion(+), 2 deletions(-) diff --git a/mosden/preprocessing.py b/mosden/preprocessing.py index 42687cdf..7b6521ec 100644 --- a/mosden/preprocessing.py +++ b/mosden/preprocessing.py @@ -515,12 +515,11 @@ def _spectral_application(self, spectra_continuum: Callable) -> dict[float, floa data_dict = dict() a = np.asarray(self.energy_groups_MeV[:-1]) * 1e6 b = np.asarray(self.energy_groups_MeV[1:]) * 1e6 - normalization = 0 region_integrals = list() for i, e in enumerate(self.eV_midpoints): region_integral, err = quad(spectra_continuum, a[i], b[i]) - normalization += region_integral region_integrals.append(region_integral) + normalization = np.sum(sorted(region_integrals)) if normalization == 0: normalization = 1 for i, e in enumerate(self.eV_midpoints): From 1705a5e0a7229ff132513f96c3981d0f06ccc65c Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Wed, 22 Apr 2026 14:35:56 -0500 Subject: [PATCH 189/259] Correct logic bug where groups and energies were mixed --- mosden/groupfit.py | 11 ++++++----- mosden/utils/csv_handler.py | 17 +++++++++++++++++ 2 files changed, 23 insertions(+), 5 deletions(-) diff --git a/mosden/groupfit.py b/mosden/groupfit.py index dd6ab878..3d5ca895 100644 --- a/mosden/groupfit.py +++ b/mosden/groupfit.py @@ -583,7 +583,7 @@ def _spectra_group_solve(self, spectral_counts: dict[float, np.ndarray[float]], group_spectra : np.ndarray[np.ndarray[float]] The spectra for each group as an array, where each array is by energy """ - x0 = np.ones_like(self.eV_midpoints) + x0 = np.ones(self.num_groups) times = np.asarray(spectral_counts['times']) group_spectra = np.zeros((self.num_groups, len(self.eV_midpoints))) lower_bounds = np.zeros_like(x0) @@ -600,9 +600,9 @@ def _spectra_group_solve(self, spectral_counts: dict[float, np.ndarray[float]], method='trf', x_scale='jac', bounds=bounds, - ftol=1e-6, - gtol=1e-6, - xtol=1e-6, + ftol=1e-12, + gtol=1e-12, + xtol=1e-12, verbose=0, max_nfev=1e6, args=(times, e_counts, e_counts, [], [], [], spectra_function, True)) @@ -725,8 +725,9 @@ def _nonlinear_least_squares(self, spectral_counts = CSVHandler(self.spectra_count_path, create=False).read_vector_csv() spectra_params = self._spectra_group_solve(spectral_counts, sorted_params, spectral_counts, fit_function) + CSVHandler(self.spectra_group_path).write_spectra_group_params(spectra_params, + self.eV_midpoints) sampled_params.append(sorted_params) - input(spectra_params) sort_idx = np.array([np.argmin(np.abs(result.x[self.num_groups:] - hl)) for hl in sorted_params[self.num_groups:]]) perm = np.concatenate([sort_idx, sort_idx + self.num_groups]) diff --git a/mosden/utils/csv_handler.py b/mosden/utils/csv_handler.py index 1d151322..21466d7d 100644 --- a/mosden/utils/csv_handler.py +++ b/mosden/utils/csv_handler.py @@ -35,6 +35,23 @@ def _create_directory(self) -> None: os.makedirs(directory) return None + def write_spectra_group_params(self, data: np.ndarray[np.ndarray[float]], + column_names: list[float]) -> None: + """ + Writes the group spectra to file + + Parameters + ---------- + data: np.ndarray[np.ndarray[float]] + The probabilities for each group `k` and each energy `j` (K, J) + column_names : list[float] + The name for each column (generally given as the midpoint of the + energy bin for that probability) + """ + df = pd.DataFrame(data, columns=column_names) + df.to_csv(self.file_path, index=False) + return None + def _file_exists(self) -> bool: """ Check if the file exists at the specified path. From bcb614a68762cd7ec7da3fc71241a92a5aae1682 Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Wed, 22 Apr 2026 15:45:17 -0500 Subject: [PATCH 190/259] Add spectra count plotting comparison (results are currently incorrect) --- mosden/base.py | 1 + mosden/countrate.py | 13 ++++++-- mosden/postprocessing.py | 69 ++++++++++++++++++++++++++++++++++++---- 3 files changed, 75 insertions(+), 8 deletions(-) diff --git a/mosden/base.py b/mosden/base.py index 30b6562f..89384b32 100644 --- a/mosden/base.py +++ b/mosden/base.py @@ -154,6 +154,7 @@ def __init__(self, input_path: str) -> None: file_options['output_dir'], 'postproc.json') self.img_dir: str = self.output_dir + 'images/' + self.spectra_img_dir: str = self.img_dir + 'spectra/' self.post_overwrite: bool = overwrite_options.get('postprocessing', False) self.sens_subplot: bool = post_options.get('sensitivity_subplots', True) self.lit_data: list[str] = post_options.get('lit_data', ['keepin']) diff --git a/mosden/countrate.py b/mosden/countrate.py index 22d4c16a..2f7f2539 100644 --- a/mosden/countrate.py +++ b/mosden/countrate.py @@ -76,10 +76,16 @@ def calculate_count_rate(self, self.time_track(start, 'Countrate') return data - def _count_rate_from_groups(self) -> dict[str: list[float]]: + def _count_rate_from_groups(self, + group_spectra: np.ndarray[np.ndarray[float]] = None) -> dict[str: list[float]]: """ Calculate the delayed neutron count rate from group parameters + Parameters + ---------- + group_spectra : np.ndarray[np.ndarray[float]] (optional) + The group spectra (None if not modeling spectra) + Returns ------- data : dict[str: list[float]] @@ -120,7 +126,10 @@ def _count_rate_from_groups(self) -> dict[str: list[float]]: grouper._set_refined_fission_term(self.decay_times) parameters = grouper._restructure_intermediate_yields(parameters, to_yield=False) - counts = fit_function(self.decay_times, parameters) + if group_spectra is None: + counts = fit_function(self.decay_times, parameters) + else: + counts = fit_function(self.decay_times, parameters, group_spectra) count_rate = np.asarray(unumpy.nominal_values(counts), dtype=float) sigma_count_rate = np.asarray(unumpy.std_devs(counts), dtype=float) diff --git a/mosden/postprocessing.py b/mosden/postprocessing.py index 8d609beb..d09bbd97 100644 --- a/mosden/postprocessing.py +++ b/mosden/postprocessing.py @@ -18,6 +18,7 @@ from armi import configure from armi.nucDirectory import nuclideBases from matplotlib.colors import LogNorm +from tqdm import tqdm plt.style.use('mosden.plotting') @@ -37,6 +38,9 @@ def __init__(self, input_path: str) -> None: self.decay_times: np.ndarray[float] = CountRate(input_path).decay_times if not os.path.exists(self.img_dir): os.makedirs(self.img_dir) + if self.is_spectral_calculation: + if not os.path.exists(self.spectra_img_dir): + os.makedirs(self.spectra_img_dir) self.group_data = None self.post_data = None self.MC_half_lives = None @@ -117,9 +121,12 @@ def run(self) -> None: The main run function for postprocessing """ - self.compare_yields() - if not self.post_irrad_only: - self.compare_counts() + #self.compare_yields() + #if not self.post_irrad_only: + # self.compare_counts() + if self.is_spectral_calculation: + self.evaluate_spectra() + input('pause') if not self.no_post_irrad: self.compare_group_to_data() self.MC_NLLS_analysis() @@ -132,6 +139,16 @@ def compare_group_to_data(self) -> None: self._plot_group_vs_counts() return None + def evaluate_spectra(self) -> None: + """ + Runs functions that evaluate spectral fits + """ + self._compare_spectral_counts() + self._plot_group_spectra() + if self.MC_samples > 2: + self._plot_MC_spectra() + return None + def compare_counts(self) -> None: """ Compare the counts from the actual data to the fit from params @@ -492,17 +509,17 @@ def _configure_x_y_labels(self, xlab: str, ylab: str, off_nominal: bool, relativ ylabel_replace = { "Half-life": fr"$\tau_{group_val}$ $[s]$", "Decay Constant": fr"$\lambda_{group_val}$ $[s^{{-1}}]$", - "Yield": fr"$\bar{{\nu}}_{{d, {group_val}}}$ $[-]$", + "Yield": fr"${{\nu}}_{{d, {group_val}}}$ $[-]$", } offnom_ylabel_replace = { "Half-life": fr"$\Delta \tau_{group_val}$ $[s]$", "Decay Constant": fr"$\Delta \lambda_{group_val}$ $[s^{{-1}}]$", - "Yield": fr"$\Delta \bar{{\nu}}_{{d, {group_val}}}$ $[-]$", + "Yield": fr"$\Delta {{\nu}}_{{d, {group_val}}}$ $[-]$", } pcnt_ylabel_replace = { "Half-life": fr"$\Delta \tau_{group_val} / \tau_{group_val}$ $[\%]$", "Decay Constant": fr"$\Delta \lambda_{group_val} / \lambda_{group_val}$ $[\%]$", - "Yield": fr"$\Delta \bar{{\nu}}_{{d, {group_val}}} / \bar{{\nu}}_{{d, {group_val}}}$ $[\%]$", + "Yield": fr"$\Delta {{\nu}}_{{d, {group_val}}} / {{\nu}}_{{d, {group_val}}}$ $[\%]$", } pcnt_xlabel_replace = { "Half-life": fr"$\Delta \tau_i / \tau_i$ $[\%]$", @@ -960,6 +977,46 @@ def _plot_nuclide_count_rates(self, num_stack: int = 1): plt.close() return None + + def _compare_spectral_counts(self) -> None: + spectra_data = CSVHandler(self.spectra_count_path, create=False).read_vector_csv() + + group_data = CSVHandler(self.group_path, + create=False).read_vector_csv() + countrate = CountRate(self.input_path) + countrate.group_params = group_data + group_spectra = pd.read_csv(self.spectra_group_path).to_numpy() + group_counts = dict() + for ei, each in enumerate(group_spectra.T): + group_data = countrate._count_rate_from_groups(group_spectra=each) + group_counts[str(self.eV_midpoints[ei])] = group_data['counts'] + + for ti, t in enumerate(tqdm(group_data['times'], desc="Plotting spectra")): + use_actual_spectra = [spectra_data[str(e)][0] for e in self.eV_midpoints] + use_actual_spectra += [spectra_data[str(self.eV_midpoints[-1])][ti]] + use_group_spectra = [group_counts[str(e)][0] for e in self.eV_midpoints] + use_group_spectra += [group_counts[str(self.eV_midpoints[-1])][ti]] + colors = self.get_colors(2) + plt.step(self.energy_groups_MeV, use_actual_spectra, label='Data', + color=colors[0], linestyle='--') + plt.step(self.energy_groups_MeV, use_group_spectra, label='Group Fit', + color=colors[1], linestyle='-.') + plt.xlabel(r'Energy $[MeV]$') + plt.xscale('log') + plt.yscale('log') + plt.legend() + plt.ylabel(r'Delayed Neutron Count Rate $[\# \cdot s^{-1}]$') + plt.tight_layout() + plt.savefig(f'{self.spectra_img_dir}/spectra_counts_{t:.5f}.png') + plt.close() + + return None + + def _plot_group_spectra(self) -> None: + return None + + def _plot_MC_spectra(self) -> None: + return None def _group_param_helper(self, name: str, From 17cd09eabfc9aa77bbaf77291f0ebed13500c0bd Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Wed, 22 Apr 2026 15:54:33 -0500 Subject: [PATCH 191/259] Remove accidental comments --- mosden/postprocessing.py | 6 +++--- 1 file changed, 3 insertions(+), 3 deletions(-) diff --git a/mosden/postprocessing.py b/mosden/postprocessing.py index d09bbd97..a0aa66f8 100644 --- a/mosden/postprocessing.py +++ b/mosden/postprocessing.py @@ -121,9 +121,9 @@ def run(self) -> None: The main run function for postprocessing """ - #self.compare_yields() - #if not self.post_irrad_only: - # self.compare_counts() + self.compare_yields() + if not self.post_irrad_only: + self.compare_counts() if self.is_spectral_calculation: self.evaluate_spectra() input('pause') From 77252c34ee0aef4964a9b6f5c623c7a64a056963 Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Wed, 22 Apr 2026 16:00:05 -0500 Subject: [PATCH 192/259] Add difference plotting --- mosden/postprocessing.py | 12 +++++++++++- 1 file changed, 11 insertions(+), 1 deletion(-) diff --git a/mosden/postprocessing.py b/mosden/postprocessing.py index a0aa66f8..96088a1b 100644 --- a/mosden/postprocessing.py +++ b/mosden/postprocessing.py @@ -991,12 +991,13 @@ def _compare_spectral_counts(self) -> None: group_data = countrate._count_rate_from_groups(group_spectra=each) group_counts[str(self.eV_midpoints[ei])] = group_data['counts'] + colors = self.get_colors(2) + single_color = self.get_colors(1)[0] for ti, t in enumerate(tqdm(group_data['times'], desc="Plotting spectra")): use_actual_spectra = [spectra_data[str(e)][0] for e in self.eV_midpoints] use_actual_spectra += [spectra_data[str(self.eV_midpoints[-1])][ti]] use_group_spectra = [group_counts[str(e)][0] for e in self.eV_midpoints] use_group_spectra += [group_counts[str(self.eV_midpoints[-1])][ti]] - colors = self.get_colors(2) plt.step(self.energy_groups_MeV, use_actual_spectra, label='Data', color=colors[0], linestyle='--') plt.step(self.energy_groups_MeV, use_group_spectra, label='Group Fit', @@ -1010,6 +1011,15 @@ def _compare_spectral_counts(self) -> None: plt.savefig(f'{self.spectra_img_dir}/spectra_counts_{t:.5f}.png') plt.close() + difference = 100 * ((np.asarray(use_actual_spectra) - np.asarray(use_group_spectra)) / np.asarray(use_actual_spectra)) + plt.step(self.energy_groups_MeV, difference, color=single_color) + plt.xlabel(r'Energy $[MeV]$') + plt.xscale('log') + plt.ylabel(r'Count Rate Difference $[\%]$') + plt.tight_layout() + plt.savefig(f'{self.spectra_img_dir}/diff_spectra_counts_{t:.5f}.png') + plt.close() + return None def _plot_group_spectra(self) -> None: From 499b1034da58402f79a734d0d89fa36d91c2bf9c Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Wed, 22 Apr 2026 16:21:23 -0500 Subject: [PATCH 193/259] Add group spectra plotting (group 1 does match br87 spectrum, but looks off) --- mosden/postprocessing.py | 35 +++++++++++++++++++++++++++++++---- 1 file changed, 31 insertions(+), 4 deletions(-) diff --git a/mosden/postprocessing.py b/mosden/postprocessing.py index 96088a1b..267b3f18 100644 --- a/mosden/postprocessing.py +++ b/mosden/postprocessing.py @@ -978,9 +978,7 @@ def _plot_nuclide_count_rates(self, num_stack: int = 1): return None - def _compare_spectral_counts(self) -> None: - spectra_data = CSVHandler(self.spectra_count_path, create=False).read_vector_csv() - + def _load_group_spectral_counts(self): group_data = CSVHandler(self.group_path, create=False).read_vector_csv() countrate = CountRate(self.input_path) @@ -991,9 +989,18 @@ def _compare_spectral_counts(self) -> None: group_data = countrate._count_rate_from_groups(group_spectra=each) group_counts[str(self.eV_midpoints[ei])] = group_data['counts'] + times = group_data['times'] + return times, group_counts + + + def _compare_spectral_counts(self) -> None: + spectra_data = CSVHandler(self.spectra_count_path, create=False).read_vector_csv() + + times, group_counts = self._load_group_spectral_counts() + colors = self.get_colors(2) single_color = self.get_colors(1)[0] - for ti, t in enumerate(tqdm(group_data['times'], desc="Plotting spectra")): + for ti, t in enumerate(tqdm(times, desc="Plotting spectra")): use_actual_spectra = [spectra_data[str(e)][0] for e in self.eV_midpoints] use_actual_spectra += [spectra_data[str(self.eV_midpoints[-1])][ti]] use_group_spectra = [group_counts[str(e)][0] for e in self.eV_midpoints] @@ -1023,6 +1030,26 @@ def _compare_spectral_counts(self) -> None: return None def _plot_group_spectra(self) -> None: + nuc_spectra = CSVHandler(self.spectra_path, create=False).read_csv() + br87_spectrum = [nuc_spectra['Br87'][str(e)] for e in self.eV_midpoints] + br87_spectrum += [br87_spectrum[-1]] + + group_spectra = pd.read_csv(self.spectra_group_path).to_numpy() + + for group, spectrum in enumerate(group_spectra): + spectrum = np.concatenate((spectrum, [spectrum[-1]])) + plt.step(self.energy_groups_MeV, spectrum, label=f'Group {group+1}') + if group == 0: + plt.step(self.energy_groups_MeV, br87_spectrum, + label=r'$^{87}$Br') + plt.legend() + plt.xlabel(r'Energy $[MeV]$') + plt.xscale('log') + plt.legend() + plt.ylabel(r'Delayed Neutron Count Rate $[\# \cdot s^{-1}]$') + plt.tight_layout() + plt.savefig(f'{self.spectra_img_dir}/spectra_group_{group}.png') + plt.close() return None def _plot_MC_spectra(self) -> None: From f11d0effed1545ba32078c9f1e924211c99e328d Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Fri, 24 Apr 2026 10:17:24 -0500 Subject: [PATCH 194/259] Change to normalize per energy to fix spectra --- mosden/base.py | 1 + mosden/preprocessing.py | 37 ++++++++++++++++++++++++++++++++++--- mosden/utils/defaults.py | 1 + 3 files changed, 36 insertions(+), 3 deletions(-) diff --git a/mosden/base.py b/mosden/base.py index 89384b32..5bdd8a3f 100644 --- a/mosden/base.py +++ b/mosden/base.py @@ -168,6 +168,7 @@ def __init__(self, input_path: str) -> None: self.plot_means = post_options.get('plot_means', False) self.pcc_cutoff = post_options.get('pcc_cutoff', 0.2) self.plot_correlation = post_options.get('plot_correlation', False) + self.plot_spectra_dnps = post_options.get('plot_nuc_spectra', []) self.post_irrad_only: bool = (len(self.residual_masks) == 1 and 'post-irrad' in self.residual_masks) self.no_post_irrad: bool = ('post-irrad' not in self.residual_masks and 'all' not in self.residual_masks) diff --git a/mosden/preprocessing.py b/mosden/preprocessing.py index 7b6521ec..241feb1f 100644 --- a/mosden/preprocessing.py +++ b/mosden/preprocessing.py @@ -6,6 +6,7 @@ from uncertainties import ufloat from time import time from typing import Callable +import matplotlib.pyplot as plt class Preprocess(BaseClass): @@ -31,6 +32,9 @@ def __init__(self, input_path: str) -> None: key: self.input_data['data_options'][key] for key in data_keys } + if not os.path.exists(self.spectra_img_dir): + os.makedirs(self.spectra_img_dir) + return None def run(self) -> None: @@ -61,9 +65,35 @@ def run(self) -> None: func(data_val, path) self.save_postproc() self._add_debug_dnps() + if len(self.plot_spectra_dnps) > 0: + self._plot_dnp_spectra() self.time_track(start, 'Preprocessing') return None + def _plot_dnp_spectra(self) -> None: + """ + Plots the delayed neutron energy spectrum for each DNP + + """ + nuc_spectra = CSVHandler(self.spectra_path, create=False).read_csv() + for nuc in nuc_spectra.keys(): + if nuc not in self.plot_spectra_dnps: + continue + + spectrum = [nuc_spectra[nuc][str(e)] for e in self.eV_midpoints] + spectrum += [spectrum[-1]] + + plt.step(self.energy_groups_MeV, spectrum) + plt.xlabel(r'Energy $[MeV]$') + plt.xscale('log') + plt.ylabel(r'Normalized Probability $[eV^{-1}]$') + plt.tight_layout() + plt.savefig(f'{self.spectra_img_dir}/spectra_{nuc}.png') + plt.close() + return + + + def _add_debug_dnps(self) -> None: """ Writes debug DNPs to all data files (if applicable) @@ -504,7 +534,7 @@ def _spectral_application(self, spectra_continuum: Callable) -> dict[float, floa ---------- spectra_continuum : Callable Function that takes in energy and returns the probability at that - energy. + energy (per energy, since dividing by bin width). Returns ------- @@ -515,15 +545,16 @@ def _spectral_application(self, spectra_continuum: Callable) -> dict[float, floa data_dict = dict() a = np.asarray(self.energy_groups_MeV[:-1]) * 1e6 b = np.asarray(self.energy_groups_MeV[1:]) * 1e6 + bin_widths = b - a region_integrals = list() for i, e in enumerate(self.eV_midpoints): - region_integral, err = quad(spectra_continuum, a[i], b[i]) + region_integral, err = (quad(spectra_continuum, a[i], b[i]) / bin_widths[i]) region_integrals.append(region_integral) normalization = np.sum(sorted(region_integrals)) if normalization == 0: normalization = 1 for i, e in enumerate(self.eV_midpoints): - data_dict[e] = region_integrals[i] / normalization + data_dict[e] = region_integrals[i] / (normalization) return data_dict diff --git a/mosden/utils/defaults.py b/mosden/utils/defaults.py index 8672b5d4..d6472c24 100644 --- a/mosden/utils/defaults.py +++ b/mosden/utils/defaults.py @@ -92,6 +92,7 @@ "sensitivity_subplots": True, "self_relative_counts": False, "plot_correlation": False, + "plot_nuc_spectra": False, "top_num_nuclides": { 'yield_top': 20, 'conc_top': 15, From ce2cf8ee1484b22a65531170f0a5c08883bb33b6 Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Fri, 24 Apr 2026 10:31:25 -0500 Subject: [PATCH 195/259] Add spectra cutoff and clean up plotting --- mosden/base.py | 1 + mosden/postprocessing.py | 17 +++++++++++------ mosden/preprocessing.py | 2 +- mosden/templates/input_schema.json | 11 +++++++++++ mosden/utils/defaults.py | 1 + 5 files changed, 25 insertions(+), 7 deletions(-) diff --git a/mosden/base.py b/mosden/base.py index 5bdd8a3f..fff9d307 100644 --- a/mosden/base.py +++ b/mosden/base.py @@ -167,6 +167,7 @@ def __init__(self, input_path: str) -> None: self.num_stack = post_options.get('num_stacked_nuclides', 2) self.plot_means = post_options.get('plot_means', False) self.pcc_cutoff = post_options.get('pcc_cutoff', 0.2) + self.spectra_cutoff_MeV = post_options.get('spectra_plot_MeV_cutoff', np.inf) self.plot_correlation = post_options.get('plot_correlation', False) self.plot_spectra_dnps = post_options.get('plot_nuc_spectra', []) diff --git a/mosden/postprocessing.py b/mosden/postprocessing.py index 267b3f18..58d25bac 100644 --- a/mosden/postprocessing.py +++ b/mosden/postprocessing.py @@ -1036,19 +1036,24 @@ def _plot_group_spectra(self) -> None: group_spectra = pd.read_csv(self.spectra_group_path).to_numpy() + colors = self.get_colors(6) for group, spectrum in enumerate(group_spectra): spectrum = np.concatenate((spectrum, [spectrum[-1]])) - plt.step(self.energy_groups_MeV, spectrum, label=f'Group {group+1}') + mask = (np.asarray(self.energy_groups_MeV) < self.spectra_cutoff_MeV) + plt.step(np.asarray(self.energy_groups_MeV)[mask], + np.asarray(spectrum)[mask], label=f'Group {group+1}', + color=colors[group]) if group == 0: - plt.step(self.energy_groups_MeV, br87_spectrum, - label=r'$^{87}$Br') + plt.step(np.asarray(self.energy_groups_MeV)[mask], + np.asarray(br87_spectrum)[mask], + label=r'$^{87}$Br', + linestyle=':', + color='black') plt.legend() plt.xlabel(r'Energy $[MeV]$') - plt.xscale('log') - plt.legend() plt.ylabel(r'Delayed Neutron Count Rate $[\# \cdot s^{-1}]$') plt.tight_layout() - plt.savefig(f'{self.spectra_img_dir}/spectra_group_{group}.png') + plt.savefig(f'{self.spectra_img_dir}/spectra_group_{group+1}.png') plt.close() return None diff --git a/mosden/preprocessing.py b/mosden/preprocessing.py index 241feb1f..cbf3dc51 100644 --- a/mosden/preprocessing.py +++ b/mosden/preprocessing.py @@ -77,7 +77,7 @@ def _plot_dnp_spectra(self) -> None: """ nuc_spectra = CSVHandler(self.spectra_path, create=False).read_csv() for nuc in nuc_spectra.keys(): - if nuc not in self.plot_spectra_dnps: + if (nuc not in self.plot_spectra_dnps) and ('all' not in self.plot_spectra_dnps): continue spectrum = [nuc_spectra[nuc][str(e)] for e in self.eV_midpoints] diff --git a/mosden/templates/input_schema.json b/mosden/templates/input_schema.json index ad7f0bde..f2a96858 100644 --- a/mosden/templates/input_schema.json +++ b/mosden/templates/input_schema.json @@ -394,6 +394,17 @@ "type": "boolean", "description": "Whether to plot the correlation matrices or not" }, + "plot_nuc_spectra": { + "type": "array", + "description": "Which DNPs to plot the spectra of. Can specify `all`", + "items": { + "type": "string" + } + }, + "spectra_plot_MeV_cutoff": { + "type": "number", + "description": "The cutoff energy beyond which the spectra is not displayed" + }, "top_num_nuclides": { "type": "object", "properties": { diff --git a/mosden/utils/defaults.py b/mosden/utils/defaults.py index d6472c24..6ce16dba 100644 --- a/mosden/utils/defaults.py +++ b/mosden/utils/defaults.py @@ -93,6 +93,7 @@ "self_relative_counts": False, "plot_correlation": False, "plot_nuc_spectra": False, + "spectra_plot_MeV_cutoff": 10, "top_num_nuclides": { 'yield_top': 20, 'conc_top': 15, From 022857f603e6de4d76efd370b3e16cda3c9bbcb0 Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Fri, 24 Apr 2026 11:08:37 -0500 Subject: [PATCH 196/259] Apply max energy masking --- mosden/postprocessing.py | 15 ++++++++------- mosden/preprocessing.py | 4 +++- 2 files changed, 11 insertions(+), 8 deletions(-) diff --git a/mosden/postprocessing.py b/mosden/postprocessing.py index 58d25bac..6f29c95a 100644 --- a/mosden/postprocessing.py +++ b/mosden/postprocessing.py @@ -1000,28 +1000,29 @@ def _compare_spectral_counts(self) -> None: colors = self.get_colors(2) single_color = self.get_colors(1)[0] + mask = (np.asarray(self.energy_groups_MeV) < self.spectra_cutoff_MeV) for ti, t in enumerate(tqdm(times, desc="Plotting spectra")): use_actual_spectra = [spectra_data[str(e)][0] for e in self.eV_midpoints] use_actual_spectra += [spectra_data[str(self.eV_midpoints[-1])][ti]] use_group_spectra = [group_counts[str(e)][0] for e in self.eV_midpoints] use_group_spectra += [group_counts[str(self.eV_midpoints[-1])][ti]] - plt.step(self.energy_groups_MeV, use_actual_spectra, label='Data', + plt.step(np.asarray(self.energy_groups_MeV)[mask], + np.asarray(use_actual_spectra)[mask], label='Data', color=colors[0], linestyle='--') - plt.step(self.energy_groups_MeV, use_group_spectra, label='Group Fit', + plt.step(np.asarray(self.energy_groups_MeV)[mask], + np.asarray(use_group_spectra)[mask], label='Group Fit', color=colors[1], linestyle='-.') plt.xlabel(r'Energy $[MeV]$') - plt.xscale('log') - plt.yscale('log') plt.legend() plt.ylabel(r'Delayed Neutron Count Rate $[\# \cdot s^{-1}]$') plt.tight_layout() plt.savefig(f'{self.spectra_img_dir}/spectra_counts_{t:.5f}.png') plt.close() - difference = 100 * ((np.asarray(use_actual_spectra) - np.asarray(use_group_spectra)) / np.asarray(use_actual_spectra)) - plt.step(self.energy_groups_MeV, difference, color=single_color) + difference = 100 * ((np.asarray(use_actual_spectra)[mask] - np.asarray(use_group_spectra)[mask]) / np.asarray(use_actual_spectra)[mask]) + plt.step(np.asarray(self.energy_groups_MeV)[mask], + difference, color=single_color) plt.xlabel(r'Energy $[MeV]$') - plt.xscale('log') plt.ylabel(r'Count Rate Difference $[\%]$') plt.tight_layout() plt.savefig(f'{self.spectra_img_dir}/diff_spectra_counts_{t:.5f}.png') diff --git a/mosden/preprocessing.py b/mosden/preprocessing.py index cbf3dc51..9e2a41eb 100644 --- a/mosden/preprocessing.py +++ b/mosden/preprocessing.py @@ -76,6 +76,7 @@ def _plot_dnp_spectra(self) -> None: """ nuc_spectra = CSVHandler(self.spectra_path, create=False).read_csv() + mask = (np.asarray(self.energy_groups_MeV) < self.spectra_cutoff_MeV) for nuc in nuc_spectra.keys(): if (nuc not in self.plot_spectra_dnps) and ('all' not in self.plot_spectra_dnps): continue @@ -83,7 +84,8 @@ def _plot_dnp_spectra(self) -> None: spectrum = [nuc_spectra[nuc][str(e)] for e in self.eV_midpoints] spectrum += [spectrum[-1]] - plt.step(self.energy_groups_MeV, spectrum) + plt.step(np.asarray(self.energy_groups_MeV)[mask], + np.asarray(spectrum)[mask]) plt.xlabel(r'Energy $[MeV]$') plt.xscale('log') plt.ylabel(r'Normalized Probability $[eV^{-1}]$') From 8ae0dba618682710c63b402526dfc817361ff1e9 Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Fri, 24 Apr 2026 11:31:25 -0500 Subject: [PATCH 197/259] Fix typo missing time dependence --- mosden/postprocessing.py | 7 ++++--- mosden/preprocessing.py | 1 - 2 files changed, 4 insertions(+), 4 deletions(-) diff --git a/mosden/postprocessing.py b/mosden/postprocessing.py index 6f29c95a..a5bfb8b2 100644 --- a/mosden/postprocessing.py +++ b/mosden/postprocessing.py @@ -143,8 +143,8 @@ def evaluate_spectra(self) -> None: """ Runs functions that evaluate spectral fits """ - self._compare_spectral_counts() self._plot_group_spectra() + self._compare_spectral_counts() if self.MC_samples > 2: self._plot_MC_spectra() return None @@ -1001,10 +1001,11 @@ def _compare_spectral_counts(self) -> None: colors = self.get_colors(2) single_color = self.get_colors(1)[0] mask = (np.asarray(self.energy_groups_MeV) < self.spectra_cutoff_MeV) + for ti, t in enumerate(tqdm(times, desc="Plotting spectra")): - use_actual_spectra = [spectra_data[str(e)][0] for e in self.eV_midpoints] + use_actual_spectra = [spectra_data[str(e)][ti] for e in self.eV_midpoints] use_actual_spectra += [spectra_data[str(self.eV_midpoints[-1])][ti]] - use_group_spectra = [group_counts[str(e)][0] for e in self.eV_midpoints] + use_group_spectra = [group_counts[str(e)][ti] for e in self.eV_midpoints] use_group_spectra += [group_counts[str(self.eV_midpoints[-1])][ti]] plt.step(np.asarray(self.energy_groups_MeV)[mask], np.asarray(use_actual_spectra)[mask], label='Data', diff --git a/mosden/preprocessing.py b/mosden/preprocessing.py index 9e2a41eb..2de3c7d3 100644 --- a/mosden/preprocessing.py +++ b/mosden/preprocessing.py @@ -87,7 +87,6 @@ def _plot_dnp_spectra(self) -> None: plt.step(np.asarray(self.energy_groups_MeV)[mask], np.asarray(spectrum)[mask]) plt.xlabel(r'Energy $[MeV]$') - plt.xscale('log') plt.ylabel(r'Normalized Probability $[eV^{-1}]$') plt.tight_layout() plt.savefig(f'{self.spectra_img_dir}/spectra_{nuc}.png') From f44742fd7331b7621305a94b6f525c9114b0fe67 Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Fri, 24 Apr 2026 11:44:17 -0500 Subject: [PATCH 198/259] Change to log scaling for counts --- mosden/postprocessing.py | 3 ++- 1 file changed, 2 insertions(+), 1 deletion(-) diff --git a/mosden/postprocessing.py b/mosden/postprocessing.py index a5bfb8b2..d5b11ed6 100644 --- a/mosden/postprocessing.py +++ b/mosden/postprocessing.py @@ -1015,6 +1015,7 @@ def _compare_spectral_counts(self) -> None: color=colors[1], linestyle='-.') plt.xlabel(r'Energy $[MeV]$') plt.legend() + plt.yscale('log') plt.ylabel(r'Delayed Neutron Count Rate $[\# \cdot s^{-1}]$') plt.tight_layout() plt.savefig(f'{self.spectra_img_dir}/spectra_counts_{t:.5f}.png') @@ -1053,7 +1054,7 @@ def _plot_group_spectra(self) -> None: color='black') plt.legend() plt.xlabel(r'Energy $[MeV]$') - plt.ylabel(r'Delayed Neutron Count Rate $[\# \cdot s^{-1}]$') + plt.ylabel(r'Probability per bin') plt.tight_layout() plt.savefig(f'{self.spectra_img_dir}/spectra_group_{group+1}.png') plt.close() From f374ea43414936e3a12588eb8222bb015a5c5c2b Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Fri, 24 Apr 2026 11:47:45 -0500 Subject: [PATCH 199/259] Update default nuc spectra --- mosden/utils/defaults.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/mosden/utils/defaults.py b/mosden/utils/defaults.py index 6ce16dba..d01f8585 100644 --- a/mosden/utils/defaults.py +++ b/mosden/utils/defaults.py @@ -92,7 +92,7 @@ "sensitivity_subplots": True, "self_relative_counts": False, "plot_correlation": False, - "plot_nuc_spectra": False, + "plot_nuc_spectra": [], "spectra_plot_MeV_cutoff": 10, "top_num_nuclides": { 'yield_top': 20, From b51b412303f9ad056088ccf95412cbf92196e19c Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Fri, 24 Apr 2026 12:45:59 -0500 Subject: [PATCH 200/259] Fix missing scaling factor for intermediate solve --- mosden/groupfit.py | 3 +++ 1 file changed, 3 insertions(+) diff --git a/mosden/groupfit.py b/mosden/groupfit.py index 3d5ca895..455938d7 100644 --- a/mosden/groupfit.py +++ b/mosden/groupfit.py @@ -589,6 +589,9 @@ def _spectra_group_solve(self, spectral_counts: dict[float, np.ndarray[float]], lower_bounds = np.zeros_like(x0) upper_bounds = np.ones_like(x0) bounds = (lower_bounds, upper_bounds) + + sorted_params = self._restructure_intermediate_yields(sorted_params, to_yield=False) + spectra_function = lambda a, b, x: fit_function(times, sorted_params, x) for ei, e in enumerate(tqdm(self.eV_midpoints, desc='Solving spectra')): e_counts = np.zeros(len(times)) From 52f26952f5ee276e666c1c1c0e05fd8ecbd8f20e Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Fri, 24 Apr 2026 12:51:47 -0500 Subject: [PATCH 201/259] Add spectra modeling to examples --- examples/high_fidelity/input.json | 5 +++++ examples/iaea_matching/input.json | 4 ++++ examples/phd_results/input.json | 14 ++++++++++++++ 3 files changed, 23 insertions(+) diff --git a/examples/high_fidelity/input.json b/examples/high_fidelity/input.json index d88947f3..c86d6336 100644 --- a/examples/high_fidelity/input.json +++ b/examples/high_fidelity/input.json @@ -16,6 +16,7 @@ "cross_section": "", "emission_probability": "jendl5/decay/", "fission_yield": "jendl5/fpy/", + "spectra": "jendl5/decay/", "decay_time_spacing": "log", "temperature_K": 920, "density_g_cm3": 2.3275, @@ -68,6 +69,7 @@ "group_options": { "num_groups": 6, "method": "nlls", + "energy_groups_MeV": [0,3.00E-09,5.00E-09,6.90E-09,1.00E-08,1.50E-08,2.00E-08,2.50E-08,3.00E-08,3.50E-08,4.20E-08,5.00E-08,5.80E-08,6.70E-08,7.70E-08,8.00E-08,9.50E-08,1.00E-07,1.15E-07,1.34E-07,1.40E-07,1.60E-07,1.80E-07,1.89E-07,2.20E-07,2.48E-07,2.80E-07,3.00E-07,3.15E-07,3.20E-07,3.50E-07,3.91E-07,4.00E-07,4.33E-07,4.85E-07,5.00E-07,5.40E-07,6.25E-07,7.05E-07,7.80E-07,7.90E-07,8.50E-07,8.60E-07,9.10E-07,9.30E-07,9.50E-07,9.72E-07,9.86E-07,9.96E-07,1.02E-06,1.04E-06,1.05E-06,1.07E-06,1.10E-06,1.11E-06,1.13E-06,1.15E-06,1.17E-06,1.24E-06,1.30E-06,1.34E-06,1.37E-06,1.44E-06,1.48E-06,1.50E-06,1.59E-06,1.67E-06,1.76E-06,1.84E-06,1.93E-06,2.02E-06,2.10E-06,2.13E-06,2.36E-06,2.55E-06,2.60E-06,2.72E-06,2.77E-06,3.30E-06,3.38E-06,4.00E-06,4.13E-06,5.04E-06,5.35E-06,6.16E-06,7.52E-06,8.32E-06,9.19E-06,9.91E-06,1.12E-05,1.37E-05,1.59E-05,1.95E-05,2.26E-05,2.50E-05,2.76E-05,3.05E-05,3.37E-05,3.73E-05,4.02E-05,4.55E-05,4.83E-05,5.16E-05,5.56E-05,6.79E-05,7.57E-05,9.17E-05,1.37E-04,1.49E-04,2.04E-04,3.04E-04,3.72E-04,4.54E-04,6.77E-04,7.49E-04,9.14E-04,1.01E-03,1.23E-03,1.43E-03,1.51E-03,2.03E-03,2.25E-03,3.35E-03,3.53E-03,5.00E-03,5.50E-03,7.47E-03,9.12E-03,1.11E-02,1.50E-02,1.66E-02,2.48E-02,2.74E-02,2.93E-02,3.70E-02,4.09E-02,5.52E-02,6.74E-02,8.23E-02,1.11E-01,1.23E-01,1.83E-01,2.47E-01,2.73E-01,3.02E-01,4.08E-01,4.50E-01,4.98E-01,5.50E-01,6.08E-01,8.21E-01,9.07E-01,1.00E+00,1.11E+00,1.22E+00,1.35E+00,1.65E+00,2.02E+00,2.23E+00,2.47E+00,3.01E+00,3.68E+00,4.49E+00,5.49E+00,6.07E+00,6.70E+00,8.19E+00,1.00E+01,1.00E+03], "parameter_guesses": 50, "initial_params": { "yields": [0.0005811, 0.00299617, 0.00166, 0.0065785, 0.00469921, 0.0021417], @@ -75,5 +77,8 @@ }, "samples": 1, "sample_func": "normal" + }, + "post_options": { + "spectra_plot_MeV_cutoff": 2 } } diff --git a/examples/iaea_matching/input.json b/examples/iaea_matching/input.json index cfa36640..a6916692 100644 --- a/examples/iaea_matching/input.json +++ b/examples/iaea_matching/input.json @@ -16,6 +16,7 @@ "cross_section": "", "emission_probability": "iaea/eval.csv", "fission_yield": "jeff311/nfpy/", + "spectra": "jendl5/decay/", "decay_time_spacing": "log", "temperature_K": 920, "density_g_cm3": 2.3275, @@ -42,6 +43,7 @@ "group_options": { "num_groups": 6, "method": "nlls", + "energy_groups_MeV": [0,3.00E-09,5.00E-09,6.90E-09,1.00E-08,1.50E-08,2.00E-08,2.50E-08,3.00E-08,3.50E-08,4.20E-08,5.00E-08,5.80E-08,6.70E-08,7.70E-08,8.00E-08,9.50E-08,1.00E-07,1.15E-07,1.34E-07,1.40E-07,1.60E-07,1.80E-07,1.89E-07,2.20E-07,2.48E-07,2.80E-07,3.00E-07,3.15E-07,3.20E-07,3.50E-07,3.91E-07,4.00E-07,4.33E-07,4.85E-07,5.00E-07,5.40E-07,6.25E-07,7.05E-07,7.80E-07,7.90E-07,8.50E-07,8.60E-07,9.10E-07,9.30E-07,9.50E-07,9.72E-07,9.86E-07,9.96E-07,1.02E-06,1.04E-06,1.05E-06,1.07E-06,1.10E-06,1.11E-06,1.13E-06,1.15E-06,1.17E-06,1.24E-06,1.30E-06,1.34E-06,1.37E-06,1.44E-06,1.48E-06,1.50E-06,1.59E-06,1.67E-06,1.76E-06,1.84E-06,1.93E-06,2.02E-06,2.10E-06,2.13E-06,2.36E-06,2.55E-06,2.60E-06,2.72E-06,2.77E-06,3.30E-06,3.38E-06,4.00E-06,4.13E-06,5.04E-06,5.35E-06,6.16E-06,7.52E-06,8.32E-06,9.19E-06,9.91E-06,1.12E-05,1.37E-05,1.59E-05,1.95E-05,2.26E-05,2.50E-05,2.76E-05,3.05E-05,3.37E-05,3.73E-05,4.02E-05,4.55E-05,4.83E-05,5.16E-05,5.56E-05,6.79E-05,7.57E-05,9.17E-05,1.37E-04,1.49E-04,2.04E-04,3.04E-04,3.72E-04,4.54E-04,6.77E-04,7.49E-04,9.14E-04,1.01E-03,1.23E-03,1.43E-03,1.51E-03,2.03E-03,2.25E-03,3.35E-03,3.53E-03,5.00E-03,5.50E-03,7.47E-03,9.12E-03,1.11E-02,1.50E-02,1.66E-02,2.48E-02,2.74E-02,2.93E-02,3.70E-02,4.09E-02,5.52E-02,6.74E-02,8.23E-02,1.11E-01,1.23E-01,1.83E-01,2.47E-01,2.73E-01,3.02E-01,4.08E-01,4.50E-01,4.98E-01,5.50E-01,6.08E-01,8.21E-01,9.07E-01,1.00E+00,1.11E+00,1.22E+00,1.35E+00,1.65E+00,2.02E+00,2.23E+00,2.47E+00,3.01E+00,3.68E+00,4.49E+00,5.49E+00,6.07E+00,6.70E+00,8.19E+00,1.00E+01,1.00E+03], "samples": 1, "parameter_guesses": 50, "sample_func": "normal" @@ -49,6 +51,8 @@ "post_options": { "self_relative_counts": false, "sensitivity_subplots": true, + "plot_nuc_spectra": ["Br87", "Ga81"], + "spectra_plot_MeV_cutoff": 2, "top_num_nuclides": { "yield_top": 5, "conc_top": 5, diff --git a/examples/phd_results/input.json b/examples/phd_results/input.json index ba73ca27..c10acc14 100644 --- a/examples/phd_results/input.json +++ b/examples/phd_results/input.json @@ -17,6 +17,7 @@ "cross_section": "", "emission_probability": "jendl5/decay/", "fission_yield": "jendl5/fpy/", + "spectra": "jendl5/decay/", "decay_time_spacing": "log", "temperature_K": 920, "density_g_cm3": 2.3275, @@ -58,7 +59,20 @@ "num_groups": 6, "parameter_guesses": 50, "method": "nlls", + "energy_groups_MeV": [0,3.00E-09,5.00E-09,6.90E-09,1.00E-08,1.50E-08,2.00E-08,2.50E-08,3.00E-08,3.50E-08,4.20E-08,5.00E-08,5.80E-08,6.70E-08,7.70E-08,8.00E-08,9.50E-08,1.00E-07,1.15E-07,1.34E-07,1.40E-07,1.60E-07,1.80E-07,1.89E-07,2.20E-07,2.48E-07,2.80E-07,3.00E-07,3.15E-07,3.20E-07,3.50E-07,3.91E-07,4.00E-07,4.33E-07,4.85E-07,5.00E-07,5.40E-07,6.25E-07,7.05E-07,7.80E-07,7.90E-07,8.50E-07,8.60E-07,9.10E-07,9.30E-07,9.50E-07,9.72E-07,9.86E-07,9.96E-07,1.02E-06,1.04E-06,1.05E-06,1.07E-06,1.10E-06,1.11E-06,1.13E-06,1.15E-06,1.17E-06,1.24E-06,1.30E-06,1.34E-06,1.37E-06,1.44E-06,1.48E-06,1.50E-06,1.59E-06,1.67E-06,1.76E-06,1.84E-06,1.93E-06,2.02E-06,2.10E-06,2.13E-06,2.36E-06,2.55E-06,2.60E-06,2.72E-06,2.77E-06,3.30E-06,3.38E-06,4.00E-06,4.13E-06,5.04E-06,5.35E-06,6.16E-06,7.52E-06,8.32E-06,9.19E-06,9.91E-06,1.12E-05,1.37E-05,1.59E-05,1.95E-05,2.26E-05,2.50E-05,2.76E-05,3.05E-05,3.37E-05,3.73E-05,4.02E-05,4.55E-05,4.83E-05,5.16E-05,5.56E-05,6.79E-05,7.57E-05,9.17E-05,1.37E-04,1.49E-04,2.04E-04,3.04E-04,3.72E-04,4.54E-04,6.77E-04,7.49E-04,9.14E-04,1.01E-03,1.23E-03,1.43E-03,1.51E-03,2.03E-03,2.25E-03,3.35E-03,3.53E-03,5.00E-03,5.50E-03,7.47E-03,9.12E-03,1.11E-02,1.50E-02,1.66E-02,2.48E-02,2.74E-02,2.93E-02,3.70E-02,4.09E-02,5.52E-02,6.74E-02,8.23E-02,1.11E-01,1.23E-01,1.83E-01,2.47E-01,2.73E-01,3.02E-01,4.08E-01,4.50E-01,4.98E-01,5.50E-01,6.08E-01,8.21E-01,9.07E-01,1.00E+00,1.11E+00,1.22E+00,1.35E+00,1.65E+00,2.02E+00,2.23E+00,2.47E+00,3.01E+00,3.68E+00,4.49E+00,5.49E+00,6.07E+00,6.70E+00,8.19E+00,1.00E+01,1.00E+03], "samples": 1, "sample_func": "normal" + }, + "post_options": { + "self_relative_counts": false, + "sensitivity_subplots": true, + "plot_nuc_spectra": [], + "spectra_plot_MeV_cutoff": 2, + "top_num_nuclides": { + "yield_top": 5, + "conc_top": 5, + "conc_over_time_top": 5 + }, + "pcc_cutoff": 0.2 } } From 36d94e6cef3fef4e70857cedfcd13682d0b9ae8b Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Fri, 24 Apr 2026 12:58:13 -0500 Subject: [PATCH 202/259] Change reprocessing to reprocessing scheme --- mosden/base.py | 2 +- mosden/templates/input_schema.json | 2 +- mosden/utils/defaults.py | 2 +- 3 files changed, 3 insertions(+), 3 deletions(-) diff --git a/mosden/base.py b/mosden/base.py index fff9d307..1d9a9f9b 100644 --- a/mosden/base.py +++ b/mosden/base.py @@ -93,7 +93,7 @@ def __init__(self, input_path: str) -> None: self.omc = True self.conc_overwrite: bool = overwrite_options.get('concentrations', False) self.reprocessing: dict[str: float] = modeling_options.get( - 'reprocessing', {}) + 'reprocessing_scheme', {}) self.reprocess: bool = (sum(self.reprocessing.values()) > 0) self.reprocess_locations: list[str] = modeling_options.get( 'reprocessing_locations', []) diff --git a/mosden/templates/input_schema.json b/mosden/templates/input_schema.json index f2a96858..df613a3c 100644 --- a/mosden/templates/input_schema.json +++ b/mosden/templates/input_schema.json @@ -225,7 +225,7 @@ "type": "number", "description": "The chemical reprocessing terms given to MoSDeN are assumed to be scaled terms (applied to the entire volume). This term indicates the scaling applied to those terms (1.0 if unscaled terms are provided instead)." }, - "reprocessing": { + "reprocessing_scheme": { "type": "object", "description": "The reprocessing scheme to apply. Given in the form of elements (e.g. Xe) and their removal rates per second (e.g. 0.1).", "additionalProperties": { diff --git a/mosden/utils/defaults.py b/mosden/utils/defaults.py index d01f8585..2a2a0072 100644 --- a/mosden/utils/defaults.py +++ b/mosden/utils/defaults.py @@ -51,7 +51,7 @@ "reprocessing": True }, "base_removal_scaling": 0.5, - "reprocessing": { + "reprocessing_scheme": { "Xe": 0.0 }, "irrad_type": "saturation", From c6ff2c4c9166062224c91f95bf70a78035bd24d2 Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Fri, 24 Apr 2026 12:59:10 -0500 Subject: [PATCH 203/259] Adjust reprocessing scheme in prelim example --- examples/prelim_results/results_generator.py | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/examples/prelim_results/results_generator.py b/examples/prelim_results/results_generator.py index 4d6c8dc2..793f20da 100644 --- a/examples/prelim_results/results_generator.py +++ b/examples/prelim_results/results_generator.py @@ -32,7 +32,7 @@ 'run_post': False, 'overwrite': True }, - 'reprocessing': [Reprocessing(base_input_file).removal_scheme(), + 'reprocessing_scheme': [Reprocessing(base_input_file).removal_scheme(), Reprocessing(base_input_file).removal_scheme(include_long=False)], 'incore_s': [10], 'excore_s': [10], @@ -48,7 +48,7 @@ 'run_post': False, 'overwrite': True }, - 'reprocessing': [Reprocessing(base_input_file).removal_scheme(), + 'reprocessing_scheme': [Reprocessing(base_input_file).removal_scheme(), Reprocessing(base_input_file).removal_scheme(rate_scaling=0.0)], 'incore_s': [10], 'excore_s': [10], From 056519bf42d8ecfc25d03c5ec71acf7ac214c062 Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Fri, 24 Apr 2026 13:04:08 -0500 Subject: [PATCH 204/259] Clean up multi post processing (remove bar from nu and add chem scaling) --- mosden/multipostprocessing.py | 14 ++++++++++---- 1 file changed, 10 insertions(+), 4 deletions(-) diff --git a/mosden/multipostprocessing.py b/mosden/multipostprocessing.py index 23905b46..81e00e19 100644 --- a/mosden/multipostprocessing.py +++ b/mosden/multipostprocessing.py @@ -34,13 +34,13 @@ def __init__(self, input_paths: list[str]) -> None: self._post_heatmap_setup() self._initialize_posts() self.hm_z_names: dict[str, str] = { - 'summed_yield': r'$\bar{\nu}_d$', - 'group_yield': r'$\bar{\nu}_d$', + 'summed_yield': r'${\nu}_d$', + 'group_yield': r'${\nu}_d$', 'summed_avg_halflife': r'$\bar{T} [s]$', 'group_avg_halflife': r'$\bar{T} [s]$' } for i in range(1, self.posts[0].num_groups + 1): - self.hm_z_names[f'group_{i}_yield'] = rf'$\bar{{\nu}}_{{d,{i}}}$' + self.hm_z_names[f'group_{i}_yield'] = rf'${{\nu}}_{{d,{i}}}$' self.hm_z_names[f'group_{i}_halflife'] = rf'$T_{i} [s]$' self._set_post_names() return None @@ -97,6 +97,12 @@ def _set_post_names(self): post.name = rf'Scaled Flux' else: post.name = 'Unscaled Flux' + elif self._is_name('chem_scaling'): + for post in self.posts: + if post.flux_scaling: + post.name = rf'Scaled Reprocessing' + else: + post.name = 'Unscaled Reprocessing' return None def _post_heatmap_setup(self) -> None: @@ -308,7 +314,7 @@ def offset(index): return np.linspace(-base_width / 2 + width / 2, else: ax.bar(label_locations + offset(post_i), data[post.name]['Yield'], width, label=post.name, color=colors[post_i]) - ax.set_ylabel(r'$\bar{\nu}_{d, k}$') + ax.set_ylabel(r'${\nu}_{d, k}$') ax.set_xticks(label_locations) ax.set_xlabel('Groups') ax.set_xticklabels(group_labels) From 6b4a536eb3aafa615012356f9a845ba8ad3b2244 Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Fri, 24 Apr 2026 13:04:46 -0500 Subject: [PATCH 205/259] Fix typo in scaling term --- mosden/multipostprocessing.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/mosden/multipostprocessing.py b/mosden/multipostprocessing.py index 81e00e19..bbe07de3 100644 --- a/mosden/multipostprocessing.py +++ b/mosden/multipostprocessing.py @@ -99,7 +99,7 @@ def _set_post_names(self): post.name = 'Unscaled Flux' elif self._is_name('chem_scaling'): for post in self.posts: - if post.flux_scaling: + if post.chem_scaling: post.name = rf'Scaled Reprocessing' else: post.name = 'Unscaled Reprocessing' From 898880492aab586a40d300b3ffad0c2fd5a8b89e Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Fri, 24 Apr 2026 13:06:17 -0500 Subject: [PATCH 206/259] Remove pause in post proc --- mosden/postprocessing.py | 1 - 1 file changed, 1 deletion(-) diff --git a/mosden/postprocessing.py b/mosden/postprocessing.py index d5b11ed6..3e97e7ea 100644 --- a/mosden/postprocessing.py +++ b/mosden/postprocessing.py @@ -126,7 +126,6 @@ def run(self) -> None: self.compare_counts() if self.is_spectral_calculation: self.evaluate_spectra() - input('pause') if not self.no_post_irrad: self.compare_group_to_data() self.MC_NLLS_analysis() From c0b83d7780ff09089d33c30deb0a93a6b1834985 Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Fri, 24 Apr 2026 13:22:59 -0500 Subject: [PATCH 207/259] Add chem and volatile fluoride scaling --- examples/phd_results/results_generator.py | 62 ++++++++++++++++------- mosden/multipostprocessing.py | 4 ++ mosden/utils/chemical_schemes.py | 10 +++- 3 files changed, 55 insertions(+), 21 deletions(-) diff --git a/examples/phd_results/results_generator.py b/examples/phd_results/results_generator.py index c7bae100..ae2acd6c 100644 --- a/examples/phd_results/results_generator.py +++ b/examples/phd_results/results_generator.py @@ -12,8 +12,6 @@ analysis_list = list() name = 'tintex' -dt = 5 -tf = 30 residence_time_analysis = { 'meta': { 'name': name, @@ -21,8 +19,9 @@ 'run_post': True, 'overwrite': True, }, - 'incore_s': [10, 20, 30], - 'excore_s': [float(i) for i in np.arange(0, tf+dt, dt)], + 'net_irrad_s': 100, + 'incore_s': [0.5, 1, 1.5, 2, 2.5, 3, 3.5], + 'excore_s': [0, 0.5, 1, 1.5, 2, 2.5, 3], 'multi_id': [name] } analysis_list.append(residence_time_analysis) @@ -40,21 +39,8 @@ } analysis_list.append(decay_times_analysis) -name = 'irrad_time' -decay_times_analysis = { - 'meta': { - 'name': name, - 'run_full': True, - 'run_post': True, - 'overwrite': True - }, - 'net_irrad_s': [1, 10, 100], - 'multi_id': [name] -} -analysis_list.append(decay_times_analysis) - name = 'omc_timestep' -decay_times_analysis = { +omc_timestep_analysis = { 'meta': { 'name': name, 'run_full': True, @@ -64,7 +50,7 @@ 'max_timestep': [0.1, 0.05, 0.01, 0.005, 0.001], 'multi_id': [name] } -analysis_list.append(decay_times_analysis) +analysis_list.append(omc_timestep_analysis) name = 'total_decay_time' total_decay_analysis = { @@ -87,11 +73,49 @@ 'run_post': True, 'overwrite': True }, + 'incore_s': 9, + 'excore_s': 16, + 'net_irrad_s': 100, 'flux': [True, False], 'multi_id': [name] } analysis_list.append(flux_analysis) +name = 'chem_scaling' +chem_analysis = { + 'meta': { + 'name': name, + 'run_full': True, + 'run_post': True, + 'overwrite': True + }, + 'incore_s': 9, + 'excore_s': 16, + 'net_irrad_s': 100, + 'reprocessing_scheme': Reprocessing(base_input_file).removal_scheme(), + 'reprocessing': [True, False], + 'multi_id': [name] +} +analysis_list.append(chem_analysis) + +name = 'vf_scaling' +vf_analysis = { + 'meta': { + 'name': name, + 'run_full': True, + 'run_post': True, + 'overwrite': True + }, + 'incore_s': 9, + 'excore_s': 16, + 'net_irrad_s': 100, + 'reprocessing_scheme': [Reprocessing(base_input_file).removal_scheme(vf_scaling=0.9), + Reprocessing(base_input_file).removal_scheme(vf_scaling=1.0), + Reprocessing(base_input_file).removal_scheme(vf_scaling=1.1)], + 'multi_id': [name] +} +analysis_list.append(vf_analysis) + def replace_value(input_data: dict, key: str, new_val: str|float|int) -> bool: """ diff --git a/mosden/multipostprocessing.py b/mosden/multipostprocessing.py index bbe07de3..9d0801d8 100644 --- a/mosden/multipostprocessing.py +++ b/mosden/multipostprocessing.py @@ -103,6 +103,10 @@ def _set_post_names(self): post.name = rf'Scaled Reprocessing' else: post.name = 'Unscaled Reprocessing' + elif self._is_name('vf_scaling'): + self.posts[0].name = r'$VF = 0.9 VF_0$' + self.posts[1].name = r'$VF = 1.0 VF_0$' + self.posts[2].name = r'$VF = 1.1 VF_0$' return None def _post_heatmap_setup(self) -> None: diff --git a/mosden/utils/chemical_schemes.py b/mosden/utils/chemical_schemes.py index 0c563e74..6cce183e 100644 --- a/mosden/utils/chemical_schemes.py +++ b/mosden/utils/chemical_schemes.py @@ -17,7 +17,8 @@ def __init__(self, input_path: str) -> None: return None def removal_scheme(self, rate_csv: str='MSBR.csv', include_long: bool=True, - rate_scaling: float=1.0) -> dict[str, float]: + rate_scaling: float=1.0, + vf_scaling: float=1.0) -> dict[str, float]: """ Returns the removal scheme with rate scaling and optional longer cycle time elemental removal included @@ -29,7 +30,10 @@ def removal_scheme(self, rate_csv: str='MSBR.csv', include_long: bool=True, include_long : bool True to include long cycle time elements (defaults to True) rate_scaling : float - The scaling to apply to removal rates (defaults to 1.0) + The scaling to apply to removal rates (defaults to 1.0) (applies + after `vf_scaling`) + vf_scaling : float + The scaling to specifically apply to volatile fluorides (Br and I) Returns ------- @@ -42,6 +46,8 @@ def removal_scheme(self, rate_csv: str='MSBR.csv', include_long: bool=True, repr_dict_dirty: dict = repr_data.to_dict(index=False, orient='tight') repr_dict_clean: list[list] = repr_dict_dirty['data'] for element, rate in repr_dict_clean: + if element in ['Br', 'I']: + rate *= vf_scaling if (not include_long) and (rate < 0.05): continue repr_dict[element] = float(rate) * rate_scaling From 282efc3e79cbabd032f60d69a59877098e25ede2 Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Fri, 24 Apr 2026 13:53:44 -0500 Subject: [PATCH 208/259] Bracket variable components --- examples/phd_results/results_generator.py | 22 +++++++++++----------- 1 file changed, 11 insertions(+), 11 deletions(-) diff --git a/examples/phd_results/results_generator.py b/examples/phd_results/results_generator.py index ae2acd6c..6024a5e0 100644 --- a/examples/phd_results/results_generator.py +++ b/examples/phd_results/results_generator.py @@ -19,7 +19,7 @@ 'run_post': True, 'overwrite': True, }, - 'net_irrad_s': 100, + 'net_irrad_s': [100], 'incore_s': [0.5, 1, 1.5, 2, 2.5, 3, 3.5], 'excore_s': [0, 0.5, 1, 1.5, 2, 2.5, 3], 'multi_id': [name] @@ -73,9 +73,9 @@ 'run_post': True, 'overwrite': True }, - 'incore_s': 9, - 'excore_s': 16, - 'net_irrad_s': 100, + 'incore_s': [9], + 'excore_s': [16], + 'net_irrad_s': [100], 'flux': [True, False], 'multi_id': [name] } @@ -89,10 +89,10 @@ 'run_post': True, 'overwrite': True }, - 'incore_s': 9, - 'excore_s': 16, - 'net_irrad_s': 100, - 'reprocessing_scheme': Reprocessing(base_input_file).removal_scheme(), + 'incore_s':[9], + 'excore_s': [16], + 'net_irrad_s': [100], + 'reprocessing_scheme': [Reprocessing(base_input_file).removal_scheme()], 'reprocessing': [True, False], 'multi_id': [name] } @@ -106,9 +106,9 @@ 'run_post': True, 'overwrite': True }, - 'incore_s': 9, - 'excore_s': 16, - 'net_irrad_s': 100, + 'incore_s': [9], + 'excore_s': [16], + 'net_irrad_s': [100], 'reprocessing_scheme': [Reprocessing(base_input_file).removal_scheme(vf_scaling=0.9), Reprocessing(base_input_file).removal_scheme(vf_scaling=1.0), Reprocessing(base_input_file).removal_scheme(vf_scaling=1.1)], From 8682bd92d9209fee26479e6f116ce2958df0579e Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Fri, 24 Apr 2026 14:02:37 -0500 Subject: [PATCH 209/259] Update input files to use reprocessing scheme --- examples/high_fidelity/input.json | 2 +- examples/huynh_2014/input.json | 2 +- examples/iaea_matching/input.json | 2 +- examples/keepin_1957/input.json | 2 +- examples/phd_results/input.json | 2 +- examples/prelim_results/input.json | 2 +- examples/zero_dnps/input.json | 2 +- tests/integration/test-data/input1.json | 2 +- tests/integration/test-data/input2.json | 2 +- tests/integration/test-data/input3.json | 2 +- tests/integration/test-data/input4.json | 2 +- tests/integration/test-data/input5.json | 2 +- tests/integration/test-data/input7.json | 2 +- tests/integration/test-data/input8.json | 2 +- tests/integration/test-data/input9.json | 2 +- tests/integration/test-data/input_omc.json | 2 +- tests/integration/test-data/input_omc_flowing.json | 2 +- tests/integration/test-data/input_omc_stationary.json | 2 +- tests/unit/input/input.json | 2 +- 19 files changed, 19 insertions(+), 19 deletions(-) diff --git a/examples/high_fidelity/input.json b/examples/high_fidelity/input.json index c86d6336..d0b724f3 100644 --- a/examples/high_fidelity/input.json +++ b/examples/high_fidelity/input.json @@ -41,7 +41,7 @@ "count_rate_handling": "data", "residual_handling": ["post-irrad"], "reprocessing_locations": ["excore"], - "reprocessing": { + "reprocessing_scheme": { "Xe": 0.0 }, "irrad_type": "intermediate", diff --git a/examples/huynh_2014/input.json b/examples/huynh_2014/input.json index ef6d7924..f3c2f1f0 100644 --- a/examples/huynh_2014/input.json +++ b/examples/huynh_2014/input.json @@ -29,7 +29,7 @@ "concentration_handling": "CFY", "count_rate_handling": "data", "reprocessing_locations": ["excore"], - "reprocessing": { + "reprocessing_scheme": { "Xe": 0.0 }, "irrad_type": "saturation", diff --git a/examples/iaea_matching/input.json b/examples/iaea_matching/input.json index a6916692..b2e88d87 100644 --- a/examples/iaea_matching/input.json +++ b/examples/iaea_matching/input.json @@ -30,7 +30,7 @@ "concentration_handling": "CFY", "count_rate_handling": "data", "reprocessing_locations": ["excore"], - "reprocessing": { + "reprocessing_scheme": { "Xe": 0.0 }, "irrad_type": "saturation", diff --git a/examples/keepin_1957/input.json b/examples/keepin_1957/input.json index eeb296ec..05614c91 100644 --- a/examples/keepin_1957/input.json +++ b/examples/keepin_1957/input.json @@ -29,7 +29,7 @@ "concentration_handling": "IFY", "count_rate_handling": "data", "reprocessing_locations": ["excore"], - "reprocessing": { + "reprocessing_scheme": { "Xe": 0.0 }, "irrad_type": "pulse", diff --git a/examples/phd_results/input.json b/examples/phd_results/input.json index c10acc14..60f7636b 100644 --- a/examples/phd_results/input.json +++ b/examples/phd_results/input.json @@ -30,7 +30,7 @@ "concentration_handling": "OMC", "count_rate_handling": "data", "reprocessing_locations": ["excore"], - "reprocessing": { + "reprocessing_scheme": { "Xe": 0.0 }, "irrad_type": "intermediate", diff --git a/examples/prelim_results/input.json b/examples/prelim_results/input.json index 5836434f..65f0d2a6 100644 --- a/examples/prelim_results/input.json +++ b/examples/prelim_results/input.json @@ -31,7 +31,7 @@ "count_rate_handling": "data", "reprocessing_locations": ["excore"], "base_removal_scaling": 0.5, - "reprocessing": { + "reprocessing_scheme": { "Xe": 0.0 }, "irrad_type": "saturation", diff --git a/examples/zero_dnps/input.json b/examples/zero_dnps/input.json index 6c2dcf47..f72b61d4 100644 --- a/examples/zero_dnps/input.json +++ b/examples/zero_dnps/input.json @@ -59,7 +59,7 @@ "count_rate_handling": "data", "residual_handling": ["post-irrad"], "reprocessing_locations": ["excore"], - "reprocessing": { + "reprocessing_scheme": { "Xe": 0.0 }, "irrad_type": "pulse", diff --git a/tests/integration/test-data/input1.json b/tests/integration/test-data/input1.json index 94dc1f0c..b910ecd1 100644 --- a/tests/integration/test-data/input1.json +++ b/tests/integration/test-data/input1.json @@ -32,7 +32,7 @@ "concentration_handling": "IFY", "count_rate_handling": "data", "reprocessing_locations": ["excore"], - "reprocessing": { + "reprocessing_scheme": { "Xe": 0.0 }, "irrad_type": "saturation", diff --git a/tests/integration/test-data/input2.json b/tests/integration/test-data/input2.json index be54e7f0..43630f14 100644 --- a/tests/integration/test-data/input2.json +++ b/tests/integration/test-data/input2.json @@ -33,7 +33,7 @@ "concentration_handling": "IFY", "count_rate_handling": "data", "reprocessing_locations": ["excore"], - "reprocessing": { + "reprocessing_scheme": { "Xe": 0.0 }, "irrad_type": "saturation", diff --git a/tests/integration/test-data/input3.json b/tests/integration/test-data/input3.json index 4cd9aa08..35b06464 100644 --- a/tests/integration/test-data/input3.json +++ b/tests/integration/test-data/input3.json @@ -33,7 +33,7 @@ "concentration_handling": "CFY", "count_rate_handling": "data", "reprocessing_locations": ["excore"], - "reprocessing": { + "reprocessing_scheme": { "Xe": 0.0 }, "irrad_type": "saturation", diff --git a/tests/integration/test-data/input4.json b/tests/integration/test-data/input4.json index 1f65c682..1ab8104a 100644 --- a/tests/integration/test-data/input4.json +++ b/tests/integration/test-data/input4.json @@ -33,7 +33,7 @@ "concentration_handling": "CFY", "count_rate_handling": "data", "reprocessing_locations": ["excore"], - "reprocessing": { + "reprocessing_scheme": { "Xe": 0.0 }, "irrad_type": "saturation", diff --git a/tests/integration/test-data/input5.json b/tests/integration/test-data/input5.json index 8fb5d6e8..8567033c 100644 --- a/tests/integration/test-data/input5.json +++ b/tests/integration/test-data/input5.json @@ -33,7 +33,7 @@ "concentration_handling": "CFY", "count_rate_handling": "data", "reprocessing_locations": ["excore"], - "reprocessing": { + "reprocessing_scheme": { "Xe": 0.0 }, "irrad_type": "saturation", diff --git a/tests/integration/test-data/input7.json b/tests/integration/test-data/input7.json index b7820e44..ec911f7e 100644 --- a/tests/integration/test-data/input7.json +++ b/tests/integration/test-data/input7.json @@ -33,7 +33,7 @@ "concentration_handling": "CFY", "count_rate_handling": "data", "reprocessing_locations": ["excore"], - "reprocessing": { + "reprocessing_scheme": { "Xe": 0.0 }, "irrad_type": "saturation", diff --git a/tests/integration/test-data/input8.json b/tests/integration/test-data/input8.json index f872cf50..e35482cc 100644 --- a/tests/integration/test-data/input8.json +++ b/tests/integration/test-data/input8.json @@ -38,7 +38,7 @@ "flux": true, "reprocessing": false }, - "reprocessing": { + "reprocessing_scheme": { "Xe": 1.0 }, "irrad_type": "saturation", diff --git a/tests/integration/test-data/input9.json b/tests/integration/test-data/input9.json index 635c68ae..fc30741b 100644 --- a/tests/integration/test-data/input9.json +++ b/tests/integration/test-data/input9.json @@ -39,7 +39,7 @@ "flux": true, "reprocessing": false }, - "reprocessing": { + "reprocessing_scheme": { "Xe": 1.0 }, "irrad_type": "saturation", diff --git a/tests/integration/test-data/input_omc.json b/tests/integration/test-data/input_omc.json index e5385c45..3448d07f 100644 --- a/tests/integration/test-data/input_omc.json +++ b/tests/integration/test-data/input_omc.json @@ -31,7 +31,7 @@ "concentration_handling": "OMC", "count_rate_handling": "data", "reprocessing_locations": ["incore", "excore"], - "reprocessing": { + "reprocessing_scheme": { "Xe": 0.0 }, "irrad_type": "intermediate", diff --git a/tests/integration/test-data/input_omc_flowing.json b/tests/integration/test-data/input_omc_flowing.json index 2e5834fe..bd660081 100644 --- a/tests/integration/test-data/input_omc_flowing.json +++ b/tests/integration/test-data/input_omc_flowing.json @@ -31,7 +31,7 @@ "concentration_handling": "OMC", "count_rate_handling": "data", "reprocessing_locations": ["incore", "excore"], - "reprocessing": { + "reprocessing_scheme": { "Xe": 0.0 }, "irrad_type": "intermediate", diff --git a/tests/integration/test-data/input_omc_stationary.json b/tests/integration/test-data/input_omc_stationary.json index 919cb5d3..fcc7e61a 100644 --- a/tests/integration/test-data/input_omc_stationary.json +++ b/tests/integration/test-data/input_omc_stationary.json @@ -31,7 +31,7 @@ "concentration_handling": "OMC", "count_rate_handling": "data", "reprocessing_locations": ["incore", "excore"], - "reprocessing": { + "reprocessing_scheme": { "Xe": 0.0 }, "irrad_type": "intermediate", diff --git a/tests/unit/input/input.json b/tests/unit/input/input.json index 6e19f5dc..dcded7cf 100644 --- a/tests/unit/input/input.json +++ b/tests/unit/input/input.json @@ -32,7 +32,7 @@ "concentration_handling": "CFY", "count_rate_handling": "data", "reprocessing_locations": ["excore"], - "reprocessing": { + "reprocessing_scheme": { "Xe": 0.0 }, "irrad_type": "saturation", From 119a03f395ce953188252dd48ca82d3c837f2f5e Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Tue, 28 Apr 2026 11:50:11 -0500 Subject: [PATCH 210/259] Add workaround for memory limitation Co-authored-by: Copilot --- mosden/multipostprocessing.py | 2 ++ mosden/postprocessing.py | 7 ++++++- 2 files changed, 8 insertions(+), 1 deletion(-) diff --git a/mosden/multipostprocessing.py b/mosden/multipostprocessing.py index 9d0801d8..95297e29 100644 --- a/mosden/multipostprocessing.py +++ b/mosden/multipostprocessing.py @@ -139,6 +139,8 @@ def _initialize_posts(self) -> None: self.hm_y_vals.append(post.hm_y) except AttributeError: self.do_heatmap = False + if post.post_data is not None and post.names['groupfitMC'] in post.post_data: + post._MC_group_params = post.post_data[post.names['groupfitMC']] # Memory limitation for large datasets (~70 sims with 5k samples) post.post_data = None return None diff --git a/mosden/postprocessing.py b/mosden/postprocessing.py index 3e97e7ea..483ab7ef 100644 --- a/mosden/postprocessing.py +++ b/mosden/postprocessing.py @@ -1172,7 +1172,12 @@ def _get_MC_group_params( yields, half_lives : tuple[np.ndarray[float], np.ndarray[float]] Tuple containing the yields and half-lives as numpy arrays """ - parameters = self.post_data[self.names['groupfitMC']] + if self.post_data is not None: + parameters = self.post_data[self.names['groupfitMC']] + elif hasattr(self, '_MC_group_params'): + parameters = self._MC_group_params + else: + raise ValueError("No MC group parameters available") yields = np.zeros((self.num_groups, self.MC_samples)) half_lives = np.zeros((self.num_groups, self.MC_samples)) for MC_i, params in enumerate(parameters): From f9a5e934c3f33a451581b4467db7420a761b6e11 Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Wed, 29 Apr 2026 10:46:24 -0500 Subject: [PATCH 211/259] Add bool typing to flux and chem scaling --- mosden/base.py | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/mosden/base.py b/mosden/base.py index 1d9a9f9b..192ee572 100644 --- a/mosden/base.py +++ b/mosden/base.py @@ -104,8 +104,8 @@ def __init__(self, input_path: str) -> None: self.irrad_type: str = modeling_options.get('irrad_type', 'saturation') self.spatial_scaling: dict[str: str] = modeling_options.get( 'spatial_scaling', {}) - self.flux_scaling = self.spatial_scaling['flux'] - self.chem_scaling = self.spatial_scaling['reprocessing'] + self.flux_scaling: bool = self.spatial_scaling['flux'] + self.chem_scaling: bool = self.spatial_scaling['reprocessing'] self.base_repr_scale: float = modeling_options.get('base_removal_scaling', 0.5) self.temperature_K: float = data_options.get('temperature_K', 920) self.density_g_cc: float = data_options.get('density_g_cm3', 2.3275) From 081a72b20c2baf2038e7ca1c74f6c5e1fbb66612 Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Wed, 29 Apr 2026 11:04:30 -0500 Subject: [PATCH 212/259] Do not scale fission term if pulling from openmc --- mosden/concentrations.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/mosden/concentrations.py b/mosden/concentrations.py index d59e0b43..9260d7c6 100644 --- a/mosden/concentrations.py +++ b/mosden/concentrations.py @@ -591,7 +591,7 @@ def _calculate_fission_term(self, only_incore: bool=True) -> tuple[list[float], if not self.omc: self.logger.error('Pulse irradiation fission term not treated') elif self.irrad_type == 'saturation' or self.irrad_type == 'intermediate': - if self.spatial_scaling == 'scaled': + if self.spatial_scaling == 'scaled' and not self.omc: fission_term = [self.f_in * f for f in fission_term] else: raise NameError(f'{self.irrad_type = } not available') From e7507275d3556c0543f5213f405626973824d39c Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Wed, 29 Apr 2026 11:56:01 -0500 Subject: [PATCH 213/259] Switch to full fission term and specify fission term value for not only incore --- mosden/concentrations.py | 2 ++ mosden/groupfit.py | 4 ++-- 2 files changed, 4 insertions(+), 2 deletions(-) diff --git a/mosden/concentrations.py b/mosden/concentrations.py index 9260d7c6..bd9b4728 100644 --- a/mosden/concentrations.py +++ b/mosden/concentrations.py @@ -593,6 +593,8 @@ def _calculate_fission_term(self, only_incore: bool=True) -> tuple[list[float], elif self.irrad_type == 'saturation' or self.irrad_type == 'intermediate': if self.spatial_scaling == 'scaled' and not self.omc: fission_term = [self.f_in * f for f in fission_term] + elif not self.omc and not only_incore: + fission_term = [self.f_in * f for f in fission_term] else: raise NameError(f'{self.irrad_type = } not available') diff --git a/mosden/groupfit.py b/mosden/groupfit.py index 455938d7..f0847246 100644 --- a/mosden/groupfit.py +++ b/mosden/groupfit.py @@ -403,7 +403,7 @@ def _set_refined_fission_term(self, fine_times: np.ndarray[float]) -> float: self.fission_term, self.fission_times = concs._calculate_fission_term() self.full_fission_term, _ = concs._calculate_fission_term(False) if not self.omc: - self.refined_fission_term = np.mean(self.fission_term) + self.refined_fission_term = np.mean(self.full_fission_term) return self.refined_fission_term refined_term = list() @@ -413,7 +413,7 @@ def _set_refined_fission_term(self, fine_times: np.ndarray[float]) -> float: refined_term.append(self.fission_term[i]) break self.refined_fission_term = np.asarray(refined_term) - self.refined_fission_term = np.mean(self.fission_term) + self.refined_fission_term = np.mean(self.full_fission_term) return self.refined_fission_term def _restructure_intermediate_yields(self, parameters: np.ndarray[float|object], From 1dae0737c7fba2189199f63b45fe290b69574198 Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Fri, 1 May 2026 08:28:44 -0500 Subject: [PATCH 214/259] Fix flux scaling Co-authored-by: Copilot --- mosden/concentrations.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/mosden/concentrations.py b/mosden/concentrations.py index bd9b4728..b2371cf3 100644 --- a/mosden/concentrations.py +++ b/mosden/concentrations.py @@ -591,7 +591,7 @@ def _calculate_fission_term(self, only_incore: bool=True) -> tuple[list[float], if not self.omc: self.logger.error('Pulse irradiation fission term not treated') elif self.irrad_type == 'saturation' or self.irrad_type == 'intermediate': - if self.spatial_scaling == 'scaled' and not self.omc: + if self.flux_scaling == 'scaled' and not self.omc: fission_term = [self.f_in * f for f in fission_term] elif not self.omc and not only_incore: fission_term = [self.f_in * f for f in fission_term] From 7b3c5ea413af688a4b6dccba47da51b29e2b89fe Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Fri, 1 May 2026 09:37:16 -0500 Subject: [PATCH 215/259] Add average energy and cleanup minor bugs --- mosden/base.py | 26 ++++++++++++++++- mosden/concentrations.py | 4 +-- mosden/multipostprocessing.py | 54 +++++++++++++++++++++++++++++++++-- tests/unit/test_base.py | 10 +++++++ 4 files changed, 88 insertions(+), 6 deletions(-) diff --git a/mosden/base.py b/mosden/base.py index 192ee572..16a4696a 100644 --- a/mosden/base.py +++ b/mosden/base.py @@ -196,7 +196,7 @@ def time_track(self, starttime: float, modulename: str = '') -> None: return None def _get_midpoint_eVs(self, energy_groups_MeV: list[float]) -> list[float]: - return ([1e6 * (self.energy_groups_MeV[i] + self.energy_groups_MeV[i+1]) / 2 for i in range(len(self.energy_groups_MeV) - 1)]) + return ([1e6 * (energy_groups_MeV[i] + energy_groups_MeV[i+1]) / 2 for i in range(len(energy_groups_MeV) - 1)]) def _get_use_times(self, single_time_val: bool=False) -> np.ndarray[float]: """ @@ -503,6 +503,30 @@ def _read_processed_data(self, f"Processed data file {data_path} does not exist.") data = csv_handler.read_csv() return data + + def calculate_avg_MeV(self, MeV_bins: list[float], + probabilities: list[float]) -> float: + """ + Calculate the average energy from `self.energy_groups_MeV` and the + given probabilities for each bin + + Parameters + ---------- + MeV_bins : list[float] + The energy bins + + probabilities : list[float] + Probability for each bin + + Returns + ------- + avg_e : float + Average energy (MeV) + """ + midpoints_MeV = np.asarray(self._get_midpoint_eVs(MeV_bins)) * 1e-6 + energies = [midpoints_MeV[i]*probabilities[i] for i in range(len(probabilities))] + avg_e = sum(sorted(energies)) + return avg_e def _get_element_from_nuclide(self, nuclide: str) -> str: """ diff --git a/mosden/concentrations.py b/mosden/concentrations.py index b2371cf3..12a583f6 100644 --- a/mosden/concentrations.py +++ b/mosden/concentrations.py @@ -591,9 +591,7 @@ def _calculate_fission_term(self, only_incore: bool=True) -> tuple[list[float], if not self.omc: self.logger.error('Pulse irradiation fission term not treated') elif self.irrad_type == 'saturation' or self.irrad_type == 'intermediate': - if self.flux_scaling == 'scaled' and not self.omc: - fission_term = [self.f_in * f for f in fission_term] - elif not self.omc and not only_incore: + if self.flux_scaling or not only_incore: fission_term = [self.f_in * f for f in fission_term] else: raise NameError(f'{self.irrad_type = } not available') diff --git a/mosden/multipostprocessing.py b/mosden/multipostprocessing.py index 95297e29..e8fd53d3 100644 --- a/mosden/multipostprocessing.py +++ b/mosden/multipostprocessing.py @@ -20,6 +20,7 @@ def __init__(self, input_paths: list[str]) -> None: """ self.posts: list[PostProcess] = [PostProcess(p) for p in input_paths] self.output_dir = self.posts[0].output_dir + self.is_spectra = False self.fig_post_name = '' if len(self.posts) > 1: self.output_dir = f'./{self.posts[0].multi_id}/images/' @@ -104,9 +105,13 @@ def _set_post_names(self): else: post.name = 'Unscaled Reprocessing' elif self._is_name('vf_scaling'): - self.posts[0].name = r'$VF = 0.9 VF_0$' + self.posts[0].name = r'$VF = 0.1 VF_0$' self.posts[1].name = r'$VF = 1.0 VF_0$' - self.posts[2].name = r'$VF = 1.1 VF_0$' + self.posts[2].name = r'$VF = 10 VF_0$' + elif self._is_name('spectra_compare'): + self.posts[0].name = 'No Removal' + self.posts[1].name = 'Full MSBR' + self.is_spectra = True return None def _post_heatmap_setup(self) -> None: @@ -192,6 +197,8 @@ def run(self): self.heatmap_gen() self.group_param_histogram() self.group_fit_counts() + if self.is_spectra: + self.group_fit_spectra() return None def _collect_post_data(self) -> dict[str: list[float]]: @@ -347,6 +354,49 @@ def offset(index): return np.linspace(-base_width / 2 + width / 2, plt.savefig(f'{self.output_dir}halflives_{self.fig_post_name}.png') plt.close() return None + + def group_fit_spectra(self) -> None: + """ + Generate group spectra plots for each PostProcess object + """ + colors = self.posts[0].get_colors(len(self.posts)) + for group in range(self.posts[0].num_groups): + for pi, post in enumerate(self.posts): + group_spectra = pd.read_csv(post.spectra_group_path).to_numpy() + spectrum = group_spectra[group, :] + spectrum = np.concatenate((spectrum, [spectrum[-1]])) + mask = (np.asarray(post.energy_groups_MeV) < post.spectra_cutoff_MeV) + if pi == 0: + base_spectrum = np.asarray(spectrum)[mask] + plt.step(np.asarray(post.energy_groups_MeV)[mask], + np.asarray(spectrum)[mask], label=post.name, + color=colors[pi], + linestyle=post.linestyles[pi%len(post.linestyles)]) + plt.legend() + plt.xlabel(r'Energy $[MeV]$') + plt.ylabel(r'Probability per bin') + plt.tight_layout() + plt.savefig(f'{self.output_dir}/compare_spectra_group_{group+1}.png') + plt.close() + + + for pi, post in enumerate(self.posts): + if pi == 0: + continue + group_spectra = pd.read_csv(post.spectra_group_path).to_numpy() + spectrum = group_spectra[group, :] + spectrum = np.concatenate((spectrum, [spectrum[-1]])) + mask = (np.asarray(post.energy_groups_MeV) < post.spectra_cutoff_MeV) + diff = (base_spectrum - np.asarray(spectrum)[mask]) + plt.step(np.asarray(post.energy_groups_MeV)[mask], + diff) + plt.xlabel(r'Energy $[MeV]$') + plt.ylabel(fr'$\Delta$ Probability from {self.posts[0].name}') + plt.tight_layout() + plt.savefig(f'{self.output_dir}/diff_spectra_group_{group+1}.png') + plt.close() + return None + def group_fit_counts(self) -> None: """ diff --git a/tests/unit/test_base.py b/tests/unit/test_base.py index 9a6303d5..2fbc5831 100644 --- a/tests/unit/test_base.py +++ b/tests/unit/test_base.py @@ -202,3 +202,13 @@ def test_openmc_time_setting(): base.openmc_settings['max_timestep'] = 1/3 in_vals = base._set_cycle_times(base.t_in) assert np.allclose(in_vals, [1/3, 1/3, 1/3]) + + +def test_average_energy_calc(): + input_path = './tests/unit/input/input.json' + base = BaseClass(input_path) + energy_groups_MeV = [0, 1, 2, 3] + probabilities = [1/3, 1/3, 1/3] + avg_e = base.calculate_avg_MeV(energy_groups_MeV, + probabilities) + assert avg_e == 1.5 From 84aafafdd16282aa1e233ceb918162835e737334 Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Fri, 1 May 2026 09:39:41 -0500 Subject: [PATCH 216/259] Adjust refined fission term for non-omc so it does not double apply ex-core time Co-authored-by: Copilot --- mosden/groupfit.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/mosden/groupfit.py b/mosden/groupfit.py index f0847246..09b977fb 100644 --- a/mosden/groupfit.py +++ b/mosden/groupfit.py @@ -403,7 +403,7 @@ def _set_refined_fission_term(self, fine_times: np.ndarray[float]) -> float: self.fission_term, self.fission_times = concs._calculate_fission_term() self.full_fission_term, _ = concs._calculate_fission_term(False) if not self.omc: - self.refined_fission_term = np.mean(self.full_fission_term) + self.refined_fission_term = np.mean(self.fission_term) return self.refined_fission_term refined_term = list() From 211c7225c7e6dfe990c8fd6a6d438b1830f2175d Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Fri, 1 May 2026 10:31:20 -0500 Subject: [PATCH 217/259] Normalize probabilities --- mosden/base.py | 3 ++- 1 file changed, 2 insertions(+), 1 deletion(-) diff --git a/mosden/base.py b/mosden/base.py index 16a4696a..396c5591 100644 --- a/mosden/base.py +++ b/mosden/base.py @@ -523,8 +523,9 @@ def calculate_avg_MeV(self, MeV_bins: list[float], avg_e : float Average energy (MeV) """ + normalized_probs = probabilities / np.sum(probabilities) midpoints_MeV = np.asarray(self._get_midpoint_eVs(MeV_bins)) * 1e-6 - energies = [midpoints_MeV[i]*probabilities[i] for i in range(len(probabilities))] + energies = [midpoints_MeV[i]*normalized_probs[i] for i in range(len(normalized_probs))] avg_e = sum(sorted(energies)) return avg_e From b2b6cec44f8dde7a4b0167cefa975eedf545ca48 Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Fri, 1 May 2026 12:44:12 -0500 Subject: [PATCH 218/259] Cleanup spectra postproc --- mosden/multipostprocessing.py | 60 ++++++++++++++++++++++++++++++++++- mosden/postprocessing.py | 47 +++++++++++++++++++-------- 2 files changed, 93 insertions(+), 14 deletions(-) diff --git a/mosden/multipostprocessing.py b/mosden/multipostprocessing.py index e8fd53d3..68fb9ca9 100644 --- a/mosden/multipostprocessing.py +++ b/mosden/multipostprocessing.py @@ -4,6 +4,7 @@ import seaborn as sns import numpy as np from mosden.countrate import CountRate +from mosden.utils.csv_handler import CSVHandler import os @@ -199,6 +200,7 @@ def run(self): self.group_fit_counts() if self.is_spectra: self.group_fit_spectra() + self.avg_energy_spectra() return None def _collect_post_data(self) -> dict[str: list[float]]: @@ -355,6 +357,62 @@ def offset(index): return np.linspace(-base_width / 2 + width / 2, plt.close() return None + def avg_energy_spectra(self) -> None: + """ + Generate average energy comparison plots over time for each + PostProcess object + """ + colors = self.posts[0].get_colors(len(self.posts)) + for pi, post in enumerate(self.posts): + times = post.decay_times + spectra_data = CSVHandler(post.spectra_count_path, create=False).read_vector_csv() + average_energies = list() + + for ti, t in enumerate(times): + use_actual_spectra = np.asarray([spectra_data[str(e)][ti] for e in post.eV_midpoints]) + avg_MeV = post.calculate_avg_MeV(post.energy_groups_MeV, + use_actual_spectra) + average_energies.append(avg_MeV) + if pi == 0: + base_avg = average_energies + plt.plot(times, average_energies, label=post.name, + color=colors[pi], + linestyle=post.linestyles[pi%len(post.linestyles)]) + plt.legend() + plt.xlabel(r'Time $[s]$') + plt.ylabel(r'$\bar{E}$ $[MeV]$') + plt.tight_layout() + plt.savefig(f'{self.output_dir}/average_energy.png') + plt.close() + + + for pi, post in enumerate(self.posts): + if pi == 0: + continue + times = post.decay_times + spectra_data = CSVHandler(post.spectra_count_path, create=False).read_vector_csv() + average_energies = list() + + for ti, t in enumerate(times): + use_actual_spectra = np.asarray([spectra_data[str(e)][ti] for e in post.eV_midpoints]) + avg_MeV = post.calculate_avg_MeV(post.energy_groups_MeV, + use_actual_spectra) + average_energies.append(avg_MeV) + diff = np.asarray(base_avg) - np.asarray(average_energies) + plt.plot(times, diff, color='black') + plt.xlabel(r'Time $[s]$') + plt.ylabel(r'$\Delta \bar{E}$ $[MeV]$') + plt.tight_layout() + plt.savefig(f'{self.output_dir}/average_energy_diff.png') + plt.close() + + + return None + + + + + def group_fit_spectra(self) -> None: """ Generate group spectra plots for each PostProcess object @@ -389,7 +447,7 @@ def group_fit_spectra(self) -> None: mask = (np.asarray(post.energy_groups_MeV) < post.spectra_cutoff_MeV) diff = (base_spectrum - np.asarray(spectrum)[mask]) plt.step(np.asarray(post.energy_groups_MeV)[mask], - diff) + diff, color='black') plt.xlabel(r'Energy $[MeV]$') plt.ylabel(fr'$\Delta$ Probability from {self.posts[0].name}') plt.tight_layout() diff --git a/mosden/postprocessing.py b/mosden/postprocessing.py index 483ab7ef..6c5cc875 100644 --- a/mosden/postprocessing.py +++ b/mosden/postprocessing.py @@ -1000,12 +1000,19 @@ def _compare_spectral_counts(self) -> None: colors = self.get_colors(2) single_color = self.get_colors(1)[0] mask = (np.asarray(self.energy_groups_MeV) < self.spectra_cutoff_MeV) + average_energies = list() + bin_widths = np.diff(self.energy_groups_MeV) for ti, t in enumerate(tqdm(times, desc="Plotting spectra")): - use_actual_spectra = [spectra_data[str(e)][ti] for e in self.eV_midpoints] - use_actual_spectra += [spectra_data[str(self.eV_midpoints[-1])][ti]] - use_group_spectra = [group_counts[str(e)][ti] for e in self.eV_midpoints] - use_group_spectra += [group_counts[str(self.eV_midpoints[-1])][ti]] + use_actual_spectra = np.asarray([spectra_data[str(e)][ti] for e in self.eV_midpoints]) + avg_MeV = self.calculate_avg_MeV(self.energy_groups_MeV, + use_actual_spectra/sum(use_actual_spectra)) + average_energies.append(avg_MeV) + use_actual_spectra = use_actual_spectra / bin_widths + use_actual_spectra = np.concatenate((use_actual_spectra, [use_actual_spectra[-1]])) + use_group_spectra = np.asarray([group_counts[str(e)][ti] for e in self.eV_midpoints]) + use_group_spectra = use_group_spectra / bin_widths + use_group_spectra = np.concatenate((use_group_spectra, [use_group_spectra[-1]])) plt.step(np.asarray(self.energy_groups_MeV)[mask], np.asarray(use_actual_spectra)[mask], label='Data', color=colors[0], linestyle='--') @@ -1014,8 +1021,9 @@ def _compare_spectral_counts(self) -> None: color=colors[1], linestyle='-.') plt.xlabel(r'Energy $[MeV]$') plt.legend() + plt.xscale('log') plt.yscale('log') - plt.ylabel(r'Delayed Neutron Count Rate $[\# \cdot s^{-1}]$') + plt.ylabel(r'$\dot{n}_d$ $[\# \cdot s^{-1} \cdot MeV^{-1}]$') plt.tight_layout() plt.savefig(f'{self.spectra_img_dir}/spectra_counts_{t:.5f}.png') plt.close() @@ -1024,30 +1032,43 @@ def _compare_spectral_counts(self) -> None: plt.step(np.asarray(self.energy_groups_MeV)[mask], difference, color=single_color) plt.xlabel(r'Energy $[MeV]$') - plt.ylabel(r'Count Rate Difference $[\%]$') + plt.ylabel(r'$\Delta \dot{n}_d$ $[\%]$') plt.tight_layout() plt.savefig(f'{self.spectra_img_dir}/diff_spectra_counts_{t:.5f}.png') - plt.close() + plt.close() + + plt.plot(times, average_energies, color='black') + plt.xlabel(r'Time $[s]$') + plt.ylabel(r'$\bar{E}$ $[MeV]$') + plt.tight_layout() + plt.savefig(f'{self.spectra_img_dir}/average_energy.png') + plt.close() return None def _plot_group_spectra(self) -> None: nuc_spectra = CSVHandler(self.spectra_path, create=False).read_csv() - br87_spectrum = [nuc_spectra['Br87'][str(e)] for e in self.eV_midpoints] - br87_spectrum += [br87_spectrum[-1]] + bin_widths = np.diff(self.energy_groups_MeV) + br87_spectrum = np.asarray([nuc_spectra['Br87'][str(e)] for e in self.eV_midpoints]) + br87_dens = br87_spectrum #/ bin_widths + br87_dens = np.concatenate((br87_dens, [br87_dens[-1]])) group_spectra = pd.read_csv(self.spectra_group_path).to_numpy() colors = self.get_colors(6) for group, spectrum in enumerate(group_spectra): - spectrum = np.concatenate((spectrum, [spectrum[-1]])) + avg_MeV = self.calculate_avg_MeV(self.energy_groups_MeV, spectrum) + self.logger.info(f'Group {group+1} Average Energy: {avg_MeV:.3f} MeV') + spectrum_density = spectrum #/ bin_widths + + spectrum_density = np.concatenate((spectrum_density, [spectrum_density[-1]])) mask = (np.asarray(self.energy_groups_MeV) < self.spectra_cutoff_MeV) plt.step(np.asarray(self.energy_groups_MeV)[mask], - np.asarray(spectrum)[mask], label=f'Group {group+1}', - color=colors[group]) + np.asarray(spectrum_density)[mask],#/sum(np.asarray(spectrum_density)[mask]), + label=f'Group {group+1}', color=colors[group]) if group == 0: plt.step(np.asarray(self.energy_groups_MeV)[mask], - np.asarray(br87_spectrum)[mask], + np.asarray(br87_dens)[mask],#/sum(br87_dens), label=r'$^{87}$Br', linestyle=':', color='black') From ec19038b57ff48c91b1717a42365d0aef540c749 Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Fri, 1 May 2026 14:41:49 -0500 Subject: [PATCH 219/259] Clean up spectra plotting --- mosden/multipostprocessing.py | 4 ++-- mosden/postprocessing.py | 16 +++++++--------- 2 files changed, 9 insertions(+), 11 deletions(-) diff --git a/mosden/multipostprocessing.py b/mosden/multipostprocessing.py index 68fb9ca9..1f471f02 100644 --- a/mosden/multipostprocessing.py +++ b/mosden/multipostprocessing.py @@ -398,10 +398,10 @@ def avg_energy_spectra(self) -> None: avg_MeV = post.calculate_avg_MeV(post.energy_groups_MeV, use_actual_spectra) average_energies.append(avg_MeV) - diff = np.asarray(base_avg) - np.asarray(average_energies) + diff = (np.asarray(base_avg) - np.asarray(average_energies)) * 1000 plt.plot(times, diff, color='black') plt.xlabel(r'Time $[s]$') - plt.ylabel(r'$\Delta \bar{E}$ $[MeV]$') + plt.ylabel(r'$\Delta \bar{E}$ $[keV]$') plt.tight_layout() plt.savefig(f'{self.output_dir}/average_energy_diff.png') plt.close() diff --git a/mosden/postprocessing.py b/mosden/postprocessing.py index 6c5cc875..f0da44eb 100644 --- a/mosden/postprocessing.py +++ b/mosden/postprocessing.py @@ -1021,8 +1021,6 @@ def _compare_spectral_counts(self) -> None: color=colors[1], linestyle='-.') plt.xlabel(r'Energy $[MeV]$') plt.legend() - plt.xscale('log') - plt.yscale('log') plt.ylabel(r'$\dot{n}_d$ $[\# \cdot s^{-1} \cdot MeV^{-1}]$') plt.tight_layout() plt.savefig(f'{self.spectra_img_dir}/spectra_counts_{t:.5f}.png') @@ -1030,7 +1028,7 @@ def _compare_spectral_counts(self) -> None: difference = 100 * ((np.asarray(use_actual_spectra)[mask] - np.asarray(use_group_spectra)[mask]) / np.asarray(use_actual_spectra)[mask]) plt.step(np.asarray(self.energy_groups_MeV)[mask], - difference, color=single_color) + difference, color='black') plt.xlabel(r'Energy $[MeV]$') plt.ylabel(r'$\Delta \dot{n}_d$ $[\%]$') plt.tight_layout() @@ -1050,31 +1048,31 @@ def _plot_group_spectra(self) -> None: nuc_spectra = CSVHandler(self.spectra_path, create=False).read_csv() bin_widths = np.diff(self.energy_groups_MeV) br87_spectrum = np.asarray([nuc_spectra['Br87'][str(e)] for e in self.eV_midpoints]) - br87_dens = br87_spectrum #/ bin_widths + br87_dens = br87_spectrum / bin_widths br87_dens = np.concatenate((br87_dens, [br87_dens[-1]])) group_spectra = pd.read_csv(self.spectra_group_path).to_numpy() - colors = self.get_colors(6) + colors = self.get_colors(self.num_groups) for group, spectrum in enumerate(group_spectra): avg_MeV = self.calculate_avg_MeV(self.energy_groups_MeV, spectrum) self.logger.info(f'Group {group+1} Average Energy: {avg_MeV:.3f} MeV') - spectrum_density = spectrum #/ bin_widths + spectrum_density = spectrum / bin_widths spectrum_density = np.concatenate((spectrum_density, [spectrum_density[-1]])) mask = (np.asarray(self.energy_groups_MeV) < self.spectra_cutoff_MeV) plt.step(np.asarray(self.energy_groups_MeV)[mask], - np.asarray(spectrum_density)[mask],#/sum(np.asarray(spectrum_density)[mask]), + np.asarray(spectrum_density)[mask]/sum(np.asarray(spectrum_density)[mask]), label=f'Group {group+1}', color=colors[group]) if group == 0: plt.step(np.asarray(self.energy_groups_MeV)[mask], - np.asarray(br87_dens)[mask],#/sum(br87_dens), + np.asarray(br87_dens)[mask]/sum(br87_dens), label=r'$^{87}$Br', linestyle=':', color='black') plt.legend() plt.xlabel(r'Energy $[MeV]$') - plt.ylabel(r'Probability per bin') + plt.ylabel(r'Probability $[MeV^{-1}]$') plt.tight_layout() plt.savefig(f'{self.spectra_img_dir}/spectra_group_{group+1}.png') plt.close() From 5b864b5f8dbb7dcd9269312289e591cee389e8b4 Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Fri, 1 May 2026 14:44:53 -0500 Subject: [PATCH 220/259] Add spectra and group phd results --- examples/phd_results/results_generator.py | 43 +++++++++++++++++++++-- 1 file changed, 41 insertions(+), 2 deletions(-) diff --git a/examples/phd_results/results_generator.py b/examples/phd_results/results_generator.py index 6024a5e0..a0625739 100644 --- a/examples/phd_results/results_generator.py +++ b/examples/phd_results/results_generator.py @@ -109,14 +109,53 @@ 'incore_s': [9], 'excore_s': [16], 'net_irrad_s': [100], - 'reprocessing_scheme': [Reprocessing(base_input_file).removal_scheme(vf_scaling=0.9), + 'reprocessing_scheme': [Reprocessing(base_input_file).removal_scheme(vf_scaling=0.1), Reprocessing(base_input_file).removal_scheme(vf_scaling=1.0), - Reprocessing(base_input_file).removal_scheme(vf_scaling=1.1)], + Reprocessing(base_input_file).removal_scheme(vf_scaling=10.)], 'multi_id': [name] } analysis_list.append(vf_analysis) +name = 'spectra_compare' +spectra_analysis = { + 'meta': { + 'name': name, + 'run_full': False, + 'run_post': False, + 'overwrite': True + }, + 'incore_s': [9], + 'excore_s': [16], + 'net_irrad_s': [100], + 'num_groups': [8], + 'reprocessing_scheme': [Reprocessing(base_input_file).removal_scheme(rate_scaling=0.0), + Reprocessing(base_input_file).removal_scheme()], + 'energy_groups_MeV': [[0,0.01,0.02,0.03,0.04,0.05,0.06,0.07,0.08,0.09,0.1,0.11,0.12,0.13,0.14,0.15,0.16,0.17,0.18,0.19,0.2,0.21,0.22,0.23,0.24,0.25,0.26,0.27,0.28,0.29,0.3,0.31,0.32,0.33,0.34,0.35,0.36,0.37,0.38,0.39,0.4,0.41,0.42,0.43,0.44,0.45,0.46,0.47,0.48,0.49,0.5,0.51,0.52,0.53,0.54,0.55,0.56,0.57,0.58,0.59,0.6,0.61,0.62,0.63,0.64,0.65,0.66,0.67,0.68,0.69,0.7,0.71,0.72,0.73,0.74,0.75,0.76,0.77,0.78,0.79,0.8,0.81,0.82,0.83,0.84,0.85,0.86,0.87,0.88,0.89,0.9,0.91,0.92,0.93,0.94,0.95,0.96,0.97,0.98,0.99,1,1.01,1.02,1.03,1.04,1.05,1.06,1.07,1.08,1.09,1.1,1.11,1.12,1.13,1.14,1.15,1.16,1.17,1.18,1.19,1.2,1.21,1.22,1.23,1.24,1.25,1.26,1.27,1.28,1.29,1.3,1.31,1.32,1.33,1.34,1.35,1.36,1.37,1.38,1.39,1.4,1.41,1.42,1.43,1.44,1.45,1.46,1.47,1.48,1.49,1.5,1.51,1.52,1.53,1.54,1.55,1.56,1.57,1.58,1.59,1.6]], + 'multi_id': [name] +} +analysis_list.append(spectra_analysis) + +name = 'group_compare' +group_analysis = { + 'meta': { + 'name': name, + 'run_full': False, + 'run_post': True, + 'overwrite': True + }, + 'incore_s': [9], + 'excore_s': [16], + 'net_irrad_s': [100], + 'num_groups': [8], + 'reprocessing_scheme': [Reprocessing(base_input_file).removal_scheme()], + 'energy_groups_MeV': [[0,0.01,0.02,0.03,0.04,0.05,0.06,0.07,0.08,0.09,0.1,0.11,0.12,0.13,0.14,0.15,0.16,0.17,0.18,0.19,0.2,0.21,0.22,0.23,0.24,0.25,0.26,0.27,0.28,0.29,0.3,0.31,0.32,0.33,0.34,0.35,0.36,0.37,0.38,0.39,0.4,0.41,0.42,0.43,0.44,0.45,0.46,0.47,0.48,0.49,0.5,0.51,0.52,0.53,0.54,0.55,0.56,0.57,0.58,0.59,0.6,0.61,0.62,0.63,0.64,0.65,0.66,0.67,0.68,0.69,0.7,0.71,0.72,0.73,0.74,0.75,0.76,0.77,0.78,0.79,0.8,0.81,0.82,0.83,0.84,0.85,0.86,0.87,0.88,0.89,0.9,0.91,0.92,0.93,0.94,0.95,0.96,0.97,0.98,0.99,1,1.01,1.02,1.03,1.04,1.05,1.06,1.07,1.08,1.09,1.1,1.11,1.12,1.13,1.14,1.15,1.16,1.17,1.18,1.19,1.2,1.21,1.22,1.23,1.24,1.25,1.26,1.27,1.28,1.29,1.3,1.31,1.32,1.33,1.34,1.35,1.36,1.37,1.38,1.39,1.4,1.41,1.42,1.43,1.44,1.45,1.46,1.47,1.48,1.49,1.5,1.51,1.52,1.53,1.54,1.55,1.56,1.57,1.58,1.59,1.6]], + 'num_groups': [6, 8, 10, 12], + 'multi_id': [name] +} +analysis_list.append(group_analysis) + + def replace_value(input_data: dict, key: str, new_val: str|float|int) -> bool: """ Recursively search through dict d to find key and replace its value. From e0a4b6896b71180d85ed670d6edafb206cf3607a Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Fri, 1 May 2026 14:46:18 -0500 Subject: [PATCH 221/259] Add group compare to multipostproc --- mosden/multipostprocessing.py | 5 +++++ 1 file changed, 5 insertions(+) diff --git a/mosden/multipostprocessing.py b/mosden/multipostprocessing.py index 1f471f02..b8ab3450 100644 --- a/mosden/multipostprocessing.py +++ b/mosden/multipostprocessing.py @@ -113,6 +113,11 @@ def _set_post_names(self): self.posts[0].name = 'No Removal' self.posts[1].name = 'Full MSBR' self.is_spectra = True + elif self._is_name('group_compare'): + self.posts[0].name = r'K=6' + self.posts[1].name = r'K=8' + self.posts[2].name = r'K=10' + self.posts[3].name = r'K=12' return None def _post_heatmap_setup(self) -> None: From 95edd0d0852f0ae76584fbe1416e1f97dc8d237d Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Fri, 1 May 2026 14:47:07 -0500 Subject: [PATCH 222/259] Remove additional group declaration --- examples/phd_results/results_generator.py | 1 - 1 file changed, 1 deletion(-) diff --git a/examples/phd_results/results_generator.py b/examples/phd_results/results_generator.py index a0625739..4dec1852 100644 --- a/examples/phd_results/results_generator.py +++ b/examples/phd_results/results_generator.py @@ -147,7 +147,6 @@ 'incore_s': [9], 'excore_s': [16], 'net_irrad_s': [100], - 'num_groups': [8], 'reprocessing_scheme': [Reprocessing(base_input_file).removal_scheme()], 'energy_groups_MeV': [[0,0.01,0.02,0.03,0.04,0.05,0.06,0.07,0.08,0.09,0.1,0.11,0.12,0.13,0.14,0.15,0.16,0.17,0.18,0.19,0.2,0.21,0.22,0.23,0.24,0.25,0.26,0.27,0.28,0.29,0.3,0.31,0.32,0.33,0.34,0.35,0.36,0.37,0.38,0.39,0.4,0.41,0.42,0.43,0.44,0.45,0.46,0.47,0.48,0.49,0.5,0.51,0.52,0.53,0.54,0.55,0.56,0.57,0.58,0.59,0.6,0.61,0.62,0.63,0.64,0.65,0.66,0.67,0.68,0.69,0.7,0.71,0.72,0.73,0.74,0.75,0.76,0.77,0.78,0.79,0.8,0.81,0.82,0.83,0.84,0.85,0.86,0.87,0.88,0.89,0.9,0.91,0.92,0.93,0.94,0.95,0.96,0.97,0.98,0.99,1,1.01,1.02,1.03,1.04,1.05,1.06,1.07,1.08,1.09,1.1,1.11,1.12,1.13,1.14,1.15,1.16,1.17,1.18,1.19,1.2,1.21,1.22,1.23,1.24,1.25,1.26,1.27,1.28,1.29,1.3,1.31,1.32,1.33,1.34,1.35,1.36,1.37,1.38,1.39,1.4,1.41,1.42,1.43,1.44,1.45,1.46,1.47,1.48,1.49,1.5,1.51,1.52,1.53,1.54,1.55,1.56,1.57,1.58,1.59,1.6]], 'num_groups': [6, 8, 10, 12], From 3184b181ed33c5c2eead2d0144cc69975ff19e6a Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Fri, 1 May 2026 14:47:53 -0500 Subject: [PATCH 223/259] Specify 5000 samples --- examples/phd_results/results_generator.py | 1 + 1 file changed, 1 insertion(+) diff --git a/examples/phd_results/results_generator.py b/examples/phd_results/results_generator.py index 4dec1852..90af9206 100644 --- a/examples/phd_results/results_generator.py +++ b/examples/phd_results/results_generator.py @@ -147,6 +147,7 @@ 'incore_s': [9], 'excore_s': [16], 'net_irrad_s': [100], + 'samples': [5000], 'reprocessing_scheme': [Reprocessing(base_input_file).removal_scheme()], 'energy_groups_MeV': [[0,0.01,0.02,0.03,0.04,0.05,0.06,0.07,0.08,0.09,0.1,0.11,0.12,0.13,0.14,0.15,0.16,0.17,0.18,0.19,0.2,0.21,0.22,0.23,0.24,0.25,0.26,0.27,0.28,0.29,0.3,0.31,0.32,0.33,0.34,0.35,0.36,0.37,0.38,0.39,0.4,0.41,0.42,0.43,0.44,0.45,0.46,0.47,0.48,0.49,0.5,0.51,0.52,0.53,0.54,0.55,0.56,0.57,0.58,0.59,0.6,0.61,0.62,0.63,0.64,0.65,0.66,0.67,0.68,0.69,0.7,0.71,0.72,0.73,0.74,0.75,0.76,0.77,0.78,0.79,0.8,0.81,0.82,0.83,0.84,0.85,0.86,0.87,0.88,0.89,0.9,0.91,0.92,0.93,0.94,0.95,0.96,0.97,0.98,0.99,1,1.01,1.02,1.03,1.04,1.05,1.06,1.07,1.08,1.09,1.1,1.11,1.12,1.13,1.14,1.15,1.16,1.17,1.18,1.19,1.2,1.21,1.22,1.23,1.24,1.25,1.26,1.27,1.28,1.29,1.3,1.31,1.32,1.33,1.34,1.35,1.36,1.37,1.38,1.39,1.4,1.41,1.42,1.43,1.44,1.45,1.46,1.47,1.48,1.49,1.5,1.51,1.52,1.53,1.54,1.55,1.56,1.57,1.58,1.59,1.6]], 'num_groups': [6, 8, 10, 12], From 69b7f8f2f1cc55121cf9a9f33417c7759f607d8e Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Fri, 1 May 2026 14:50:03 -0500 Subject: [PATCH 224/259] Correct base removal scaling and only use groups for certain solves --- examples/phd_results/input.json | 5 +++-- 1 file changed, 3 insertions(+), 2 deletions(-) diff --git a/examples/phd_results/input.json b/examples/phd_results/input.json index 60f7636b..802fb75c 100644 --- a/examples/phd_results/input.json +++ b/examples/phd_results/input.json @@ -38,7 +38,7 @@ "flux": false, "reprocessing": false }, - "base_removal_scaling": 0.5, + "base_removal_scaling": 0.64, "incore_s": 1e-5, "excore_s": 0, "net_irrad_s": 1e-5, @@ -59,7 +59,8 @@ "num_groups": 6, "parameter_guesses": 50, "method": "nlls", - "energy_groups_MeV": [0,3.00E-09,5.00E-09,6.90E-09,1.00E-08,1.50E-08,2.00E-08,2.50E-08,3.00E-08,3.50E-08,4.20E-08,5.00E-08,5.80E-08,6.70E-08,7.70E-08,8.00E-08,9.50E-08,1.00E-07,1.15E-07,1.34E-07,1.40E-07,1.60E-07,1.80E-07,1.89E-07,2.20E-07,2.48E-07,2.80E-07,3.00E-07,3.15E-07,3.20E-07,3.50E-07,3.91E-07,4.00E-07,4.33E-07,4.85E-07,5.00E-07,5.40E-07,6.25E-07,7.05E-07,7.80E-07,7.90E-07,8.50E-07,8.60E-07,9.10E-07,9.30E-07,9.50E-07,9.72E-07,9.86E-07,9.96E-07,1.02E-06,1.04E-06,1.05E-06,1.07E-06,1.10E-06,1.11E-06,1.13E-06,1.15E-06,1.17E-06,1.24E-06,1.30E-06,1.34E-06,1.37E-06,1.44E-06,1.48E-06,1.50E-06,1.59E-06,1.67E-06,1.76E-06,1.84E-06,1.93E-06,2.02E-06,2.10E-06,2.13E-06,2.36E-06,2.55E-06,2.60E-06,2.72E-06,2.77E-06,3.30E-06,3.38E-06,4.00E-06,4.13E-06,5.04E-06,5.35E-06,6.16E-06,7.52E-06,8.32E-06,9.19E-06,9.91E-06,1.12E-05,1.37E-05,1.59E-05,1.95E-05,2.26E-05,2.50E-05,2.76E-05,3.05E-05,3.37E-05,3.73E-05,4.02E-05,4.55E-05,4.83E-05,5.16E-05,5.56E-05,6.79E-05,7.57E-05,9.17E-05,1.37E-04,1.49E-04,2.04E-04,3.04E-04,3.72E-04,4.54E-04,6.77E-04,7.49E-04,9.14E-04,1.01E-03,1.23E-03,1.43E-03,1.51E-03,2.03E-03,2.25E-03,3.35E-03,3.53E-03,5.00E-03,5.50E-03,7.47E-03,9.12E-03,1.11E-02,1.50E-02,1.66E-02,2.48E-02,2.74E-02,2.93E-02,3.70E-02,4.09E-02,5.52E-02,6.74E-02,8.23E-02,1.11E-01,1.23E-01,1.83E-01,2.47E-01,2.73E-01,3.02E-01,4.08E-01,4.50E-01,4.98E-01,5.50E-01,6.08E-01,8.21E-01,9.07E-01,1.00E+00,1.11E+00,1.22E+00,1.35E+00,1.65E+00,2.02E+00,2.23E+00,2.47E+00,3.01E+00,3.68E+00,4.49E+00,5.49E+00,6.07E+00,6.70E+00,8.19E+00,1.00E+01,1.00E+03], + "energy_groups_MeV": [], + "_energy_groups_MeV": [0,3.00E-09,5.00E-09,6.90E-09,1.00E-08,1.50E-08,2.00E-08,2.50E-08,3.00E-08,3.50E-08,4.20E-08,5.00E-08,5.80E-08,6.70E-08,7.70E-08,8.00E-08,9.50E-08,1.00E-07,1.15E-07,1.34E-07,1.40E-07,1.60E-07,1.80E-07,1.89E-07,2.20E-07,2.48E-07,2.80E-07,3.00E-07,3.15E-07,3.20E-07,3.50E-07,3.91E-07,4.00E-07,4.33E-07,4.85E-07,5.00E-07,5.40E-07,6.25E-07,7.05E-07,7.80E-07,7.90E-07,8.50E-07,8.60E-07,9.10E-07,9.30E-07,9.50E-07,9.72E-07,9.86E-07,9.96E-07,1.02E-06,1.04E-06,1.05E-06,1.07E-06,1.10E-06,1.11E-06,1.13E-06,1.15E-06,1.17E-06,1.24E-06,1.30E-06,1.34E-06,1.37E-06,1.44E-06,1.48E-06,1.50E-06,1.59E-06,1.67E-06,1.76E-06,1.84E-06,1.93E-06,2.02E-06,2.10E-06,2.13E-06,2.36E-06,2.55E-06,2.60E-06,2.72E-06,2.77E-06,3.30E-06,3.38E-06,4.00E-06,4.13E-06,5.04E-06,5.35E-06,6.16E-06,7.52E-06,8.32E-06,9.19E-06,9.91E-06,1.12E-05,1.37E-05,1.59E-05,1.95E-05,2.26E-05,2.50E-05,2.76E-05,3.05E-05,3.37E-05,3.73E-05,4.02E-05,4.55E-05,4.83E-05,5.16E-05,5.56E-05,6.79E-05,7.57E-05,9.17E-05,1.37E-04,1.49E-04,2.04E-04,3.04E-04,3.72E-04,4.54E-04,6.77E-04,7.49E-04,9.14E-04,1.01E-03,1.23E-03,1.43E-03,1.51E-03,2.03E-03,2.25E-03,3.35E-03,3.53E-03,5.00E-03,5.50E-03,7.47E-03,9.12E-03,1.11E-02,1.50E-02,1.66E-02,2.48E-02,2.74E-02,2.93E-02,3.70E-02,4.09E-02,5.52E-02,6.74E-02,8.23E-02,1.11E-01,1.23E-01,1.83E-01,2.47E-01,2.73E-01,3.02E-01,4.08E-01,4.50E-01,4.98E-01,5.50E-01,6.08E-01,8.21E-01,9.07E-01,1.00E+00,1.11E+00,1.22E+00,1.35E+00,1.65E+00,2.02E+00,2.23E+00,2.47E+00,3.01E+00,3.68E+00,4.49E+00,5.49E+00,6.07E+00,6.70E+00,8.19E+00,1.00E+01,1.00E+03], "samples": 1, "sample_func": "normal" }, From 768dc83dbc2562bfb316ae9c3f0a2a58d0959d06 Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Sun, 3 May 2026 11:58:44 -0500 Subject: [PATCH 225/259] Record spectra samples --- mosden/base.py | 3 ++- mosden/groupfit.py | 23 +++++++++++++++++++---- 2 files changed, 21 insertions(+), 5 deletions(-) diff --git a/mosden/base.py b/mosden/base.py index 396c5591..76185f3b 100644 --- a/mosden/base.py +++ b/mosden/base.py @@ -182,7 +182,8 @@ def __init__(self, input_path: str) -> None: self.names: dict[str: str] = { 'countsMC': 'countsMC', - 'groupfitMC': 'groupfitMC' + 'groupfitMC': 'groupfitMC', + 'spectraMC': 'spectraMC' } if BaseClass._INITIALIZED: diff --git a/mosden/groupfit.py b/mosden/groupfit.py index 09b977fb..5937bb40 100644 --- a/mosden/groupfit.py +++ b/mosden/groupfit.py @@ -720,6 +720,7 @@ def _nonlinear_least_squares(self, J = result.jac sampled_params: list[float] = list() tracked_counts: list[float] = list() + sampled_spectral_params: list[np.ndarray[np.ndarray[float]]] = list() nominal_x = result.x.copy() sorted_params = self._sort_params_by_half_life(result.x) @@ -728,6 +729,7 @@ def _nonlinear_least_squares(self, spectral_counts = CSVHandler(self.spectra_count_path, create=False).read_vector_csv() spectra_params = self._spectra_group_solve(spectral_counts, sorted_params, spectral_counts, fit_function) + sampled_spectral_params.append(spectra_params) CSVHandler(self.spectra_group_path).write_spectra_group_params(spectra_params, self.eV_midpoints) sampled_params.append(sorted_params) @@ -758,9 +760,12 @@ def _nonlinear_least_squares(self, for _ in tqdm(range(1, self.MC_samples), desc='Solving least-squares'): with warnings.catch_warnings(): warnings.simplefilter('ignore') - # TODO - This is also returning spectral data now - data, post_data = countrate.calculate_count_rate( - MC_run=True, sampler_func=self.sample_func) + if self.is_spectral_calculation: + data, post_data, spectral_data = countrate.calculate_count_rate( + MC_run=True, sampler_func=self.sample_func) + else: + data, post_data = countrate.calculate_count_rate( + MC_run=True, sampler_func=self.sample_func) post_data_save.append(post_data) count_sample = data['counts'] count_sample_err = data['sigma counts'] @@ -789,7 +794,13 @@ def _nonlinear_least_squares(self, sorted_params = self._sort_params_by_half_life(result.x) sorted_params = self._restructure_intermediate_yields(sorted_params) sampled_params.append(sorted_params) + if self.is_spectral_calculation: + spectral_counts = CSVHandler(self.spectra_count_path, create=False).read_vector_csv() + spectra_params = self._spectra_group_solve(spectral_counts, sorted_params, + spectral_counts, fit_function) + sampled_spectral_params.append(spectra_params) sampled_params: np.ndarray[float] = np.asarray(sampled_params) + sampled_spectral_params: np.ndarray[np.ndarray[np.ndarray[float]]] = np.asarray(sampled_spectral_params) try: self.post_data @@ -809,7 +820,6 @@ def _nonlinear_least_squares(self, except KeyError: # Running with pre-existing post data pass - self.save_postproc() yields = np.zeros((self.num_groups, self.MC_samples)) half_lives = np.zeros((self.num_groups, self.MC_samples)) @@ -822,15 +832,20 @@ def _nonlinear_least_squares(self, half_lives[:, MC_i] = np.asarray(half_life_val)[sort_idx] groupMCdata = list() + groupMCspectra = list() for iterval in range(self.MC_samples): groupMCdata.append([i for i in sampled_params[iterval]]) + groupMCspectra.append([i for i in sampled_spectral_params[iterval].tolist()]) try: self.post_data['groupfitMC'] = groupMCdata self.post_data['countsMC'] = tracked_counts + self.post_data['spectraMC'] = groupMCspectra except AttributeError: self.load_post_data() self.post_data['groupfitMC'] = groupMCdata self.post_data['countsMC'] = tracked_counts + self.post_data['spectraMC'] = groupMCspectra + self.save_postproc() data: dict[str: dict[str: float]] = dict() for group in range(self.num_groups): From da9f4880172ed01bc91172c09a0d12b4db11bf6e Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Sun, 3 May 2026 12:26:18 -0500 Subject: [PATCH 226/259] Add group spectra with uncertainty calc Co-authored-by: Copilot --- mosden/postprocessing.py | 28 ++++++++++++++++++++++++++++ 1 file changed, 28 insertions(+) diff --git a/mosden/postprocessing.py b/mosden/postprocessing.py index f0da44eb..01658b7f 100644 --- a/mosden/postprocessing.py +++ b/mosden/postprocessing.py @@ -1078,6 +1078,34 @@ def _plot_group_spectra(self) -> None: plt.close() return None + + def _get_group_spectra_sigma(self) -> np.ndarray[np.ndarray[object]]: + """ + Collects the various sampled group spectra from post_data. + The data is given as list(list(list(float))) for each sample, group, + and energy bin, respectively. Uncertainties are calculated using np.std. + + + Returns + ------- + np.ndarray[unumpy.uarray[object]] + Array for each group containing unumpy array of ufloats for each + energy bin, providing params with uncertainties + """ + if self.post_data is not None: + spectra = self.post_data[self.names['spectraMC']] + else: + raise ValueError("No MC spectra data available") + group_spectra = np.zeros((self.num_groups, + len(self.energy_groups_MeV)), dtype=object) + for group in range(self.num_groups): + for ei in range(len(self.energy_groups_MeV[:-1])): + bin_samples = [spectra[MC_i][group][ei] for MC_i in range(self.MC_samples)] + mean = np.mean(bin_samples) + std = np.std(bin_samples) + group_spectra[group, ei] = ufloat(mean, std) + return group_spectra + def _plot_MC_spectra(self) -> None: return None From a8568c18ad0067f8611eb70ed631eec47bc5a6d1 Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Sun, 3 May 2026 12:36:06 -0500 Subject: [PATCH 227/259] Correct off by one error and update avg MeV to include obj Co-authored-by: Copilot --- mosden/base.py | 15 ++++++++------- mosden/postprocessing.py | 19 +++++++++++++++++-- 2 files changed, 25 insertions(+), 9 deletions(-) diff --git a/mosden/base.py b/mosden/base.py index 76185f3b..c523cbb6 100644 --- a/mosden/base.py +++ b/mosden/base.py @@ -505,26 +505,27 @@ def _read_processed_data(self, data = csv_handler.read_csv() return data - def calculate_avg_MeV(self, MeV_bins: list[float], - probabilities: list[float]) -> float: + def calculate_avg_MeV(self, MeV_bins: list[float|object], + probabilities: list[float|object]) -> float|object: """ Calculate the average energy from `self.energy_groups_MeV` and the - given probabilities for each bin + given probabilities for each bin. + Useable with both floats and unumpy arrays of ufloats. Parameters ---------- - MeV_bins : list[float] + MeV_bins : list[float|object] The energy bins - probabilities : list[float] + probabilities : list[float|object] Probability for each bin Returns ------- - avg_e : float + avg_e : float|object Average energy (MeV) """ - normalized_probs = probabilities / np.sum(probabilities) + normalized_probs = probabilities / sum(probabilities) midpoints_MeV = np.asarray(self._get_midpoint_eVs(MeV_bins)) * 1e-6 energies = [midpoints_MeV[i]*normalized_probs[i] for i in range(len(normalized_probs))] avg_e = sum(sorted(energies)) diff --git a/mosden/postprocessing.py b/mosden/postprocessing.py index 01658b7f..28846789 100644 --- a/mosden/postprocessing.py +++ b/mosden/postprocessing.py @@ -1078,6 +1078,21 @@ def _plot_group_spectra(self) -> None: plt.close() return None + def _log_average_energies(self, spectra_params: np.ndarray[np.ndarray[object]]) -> None: + """ + Use `self.logger.info` to record the average energy of each group from + the calcualted spectra_params that include uncertainties + + Parameters + ---------- + spectra_params : np.ndarray[np.ndarray[object]] + Array for each group containing unumpy array of ufloats for each + energy bin, providing params with uncertainties + """ + for group in range(self.num_groups): + avg_MeV = self.calculate_avg_MeV(self.energy_groups_MeV, spectra_params[group]) + self.logger.info(f'Group {group+1} Average Energy: {avg_MeV*1000:.3f} keV') + return None def _get_group_spectra_sigma(self) -> np.ndarray[np.ndarray[object]]: """ @@ -1088,7 +1103,7 @@ def _get_group_spectra_sigma(self) -> np.ndarray[np.ndarray[object]]: Returns ------- - np.ndarray[unumpy.uarray[object]] + group_spectra : np.ndarray[unumpy.uarray[object]] Array for each group containing unumpy array of ufloats for each energy bin, providing params with uncertainties """ @@ -1097,7 +1112,7 @@ def _get_group_spectra_sigma(self) -> np.ndarray[np.ndarray[object]]: else: raise ValueError("No MC spectra data available") group_spectra = np.zeros((self.num_groups, - len(self.energy_groups_MeV)), dtype=object) + len(self.energy_groups_MeV[:-1])), dtype=object) for group in range(self.num_groups): for ei in range(len(self.energy_groups_MeV[:-1])): bin_samples = [spectra[MC_i][group][ei] for MC_i in range(self.MC_samples)] From 28897e6860c03b3682e6c09a8eb4221a43f1c6d3 Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Sun, 3 May 2026 12:44:16 -0500 Subject: [PATCH 228/259] Move post load Co-authored-by: Copilot --- mosden/postprocessing.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/mosden/postprocessing.py b/mosden/postprocessing.py index 28846789..82bcea7f 100644 --- a/mosden/postprocessing.py +++ b/mosden/postprocessing.py @@ -49,6 +49,7 @@ def __init__(self, input_path: str) -> None: grouper = Grouper(input_path) self.refined_fission_term = grouper._set_refined_fission_term(self.decay_times) np.set_printoptions(legacy='1.25') + self.load_post_data() return None @@ -56,7 +57,6 @@ def get_MC_data_post(self) -> None: """ Load post data and get the MC yield and half-lives """ - self.load_post_data() try: self.MC_yields, self.MC_half_lives = self._get_MC_group_params() except KeyError: From 17ca140bed2807ffd192de653d96eecdc2ea39bb Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Sun, 3 May 2026 12:44:39 -0500 Subject: [PATCH 229/259] Add group spectra plotting --- mosden/postprocessing.py | 38 ++++++++++++++++++++++++++++++++++++-- 1 file changed, 36 insertions(+), 2 deletions(-) diff --git a/mosden/postprocessing.py b/mosden/postprocessing.py index 82bcea7f..1e4d38c1 100644 --- a/mosden/postprocessing.py +++ b/mosden/postprocessing.py @@ -145,7 +145,9 @@ def evaluate_spectra(self) -> None: self._plot_group_spectra() self._compare_spectral_counts() if self.MC_samples > 2: - self._plot_MC_spectra() + spectra_params = self._get_group_spectra_sigma() + self._log_average_energies(spectra_params) + self._plot_MC_group_spectra(spectra_params) return None def compare_counts(self) -> None: @@ -1121,7 +1123,39 @@ def _get_group_spectra_sigma(self) -> np.ndarray[np.ndarray[object]]: group_spectra[group, ei] = ufloat(mean, std) return group_spectra - def _plot_MC_spectra(self) -> None: + def _plot_MC_group_spectra(self, spectra_params: np.ndarray[np.ndarray[object]]) -> None: + """ + Create plots of the group spectra with std. dev. plotted using + fill between + + Parameters + ---------- + spectra_params : np.ndarray[np.ndarray[object]] + Array for each group containing unumpy array of ufloats for each + energy bin, providing params with uncertainties + """ + colors = self.get_colors(self.num_groups) + for group in range(self.num_groups): + mean_spectrum = unumpy.nominal_values(spectra_params[group]) + mean_spectrum = mean_spectrum / sum(mean_spectrum) + mean_spectrum = np.concatenate((mean_spectrum, [mean_spectrum[-1]])) + std_spectrum = unumpy.std_devs(spectra_params[group]) + std_spectrum = std_spectrum / sum(mean_spectrum) + std_spectrum = np.concatenate((std_spectrum, [std_spectrum[-1]])) + upper = mean_spectrum + std_spectrum + lower = mean_spectrum - std_spectrum + mask = (np.asarray(self.energy_groups_MeV) < self.spectra_cutoff_MeV) + plt.step(np.asarray(self.energy_groups_MeV)[mask], + np.asarray(mean_spectrum)[mask], label=f'Group {group+1}', color=colors[group]) + plt.fill_between(np.asarray(self.energy_groups_MeV)[mask], + np.asarray(lower)[mask], np.asarray(upper)[mask], color=colors[group], alpha=0.5) + plt.xlabel(r'Energy $[MeV]$') + plt.ylabel(r'Probability $[MeV^{-1}]$') + plt.legend() + plt.tight_layout() + plt.savefig(f'{self.spectra_img_dir}/spectra_group_MC_{group+1}.png') + plt.close() + return None def _group_param_helper(self, From ad57ccce78f2d1a627cf2dfe64c89cb51fe3fe0f Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Sun, 3 May 2026 13:15:54 -0500 Subject: [PATCH 230/259] Make num groups generic and add spectral calc check before appending spectra values to post --- mosden/groupfit.py | 22 +++++++++++++--------- 1 file changed, 13 insertions(+), 9 deletions(-) diff --git a/mosden/groupfit.py b/mosden/groupfit.py index 5937bb40..54634ac8 100644 --- a/mosden/groupfit.py +++ b/mosden/groupfit.py @@ -171,8 +171,9 @@ def _get_irrad_counts(self, Array of counts for each time point (can be float or ufloat) """ parameters = self._restructure_intermediate_yields(parameters) - yields = parameters[:self.num_groups] - half_lives = parameters[self.num_groups:] + num_groups = int(len(parameters)/2) + yields = parameters[:num_groups] + half_lives = parameters[num_groups:] try: np.exp(-np.log(2)/half_lives[0]) exp = np.exp @@ -217,15 +218,16 @@ def _pulse_fit_function(self, counts : np.ndarray[float|object] Array of counts for each time point (can be float or ufloat) """ - yields = parameters[:self.num_groups] - half_lives = parameters[self.num_groups:] + num_groups = int(len(parameters)/2) + yields = parameters[:num_groups] + half_lives = parameters[num_groups:] counts: np.ndarray[float] = np.zeros(len(times)) if spectral_vector is None: spectral_vector = np.ones_like(yields) irrad_dt = 1 if self.fission_times: irrad_dt = np.diff(self.fission_times)[0] - for group in range(self.num_groups): + for group in range(num_groups): lam = np.log(2) / half_lives[group] a = yields[group] try: @@ -259,8 +261,9 @@ def _saturation_fit_function(self, counts : np.ndarray[float|object] Array of counts for each time point (can be float or ufloat) """ - yields = parameters[:self.num_groups] - half_lives = parameters[self.num_groups:] + num_groups = int(len(parameters)/2) + yields = parameters[:num_groups] + half_lives = parameters[num_groups:] counts: np.ndarray[float] = np.zeros(len(times)) if spectral_vector is None: spectral_vector = np.ones_like(yields) @@ -273,7 +276,7 @@ def _saturation_fit_function(self, counts: np.ndarray[object] = np.zeros( len(times), dtype=object) - for group in range(self.num_groups): + for group in range(num_groups): lam = np.log(2) / half_lives[group] nu = yields[group] fiss_term = self._get_saturation_fission_term(lam, exp) @@ -835,7 +838,8 @@ def _nonlinear_least_squares(self, groupMCspectra = list() for iterval in range(self.MC_samples): groupMCdata.append([i for i in sampled_params[iterval]]) - groupMCspectra.append([i for i in sampled_spectral_params[iterval].tolist()]) + if self.is_spectral_calculation: + groupMCspectra.append([i for i in sampled_spectral_params[iterval].tolist()]) try: self.post_data['groupfitMC'] = groupMCdata self.post_data['countsMC'] = tracked_counts From 87a234a1f52518142b534842305eaacfeff10587 Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Tue, 5 May 2026 12:10:38 -0500 Subject: [PATCH 231/259] Modify post to calculate difference per MeV --- mosden/postprocessing.py | 3 +-- 1 file changed, 1 insertion(+), 2 deletions(-) diff --git a/mosden/postprocessing.py b/mosden/postprocessing.py index 1e4d38c1..e285c031 100644 --- a/mosden/postprocessing.py +++ b/mosden/postprocessing.py @@ -1000,7 +1000,6 @@ def _compare_spectral_counts(self) -> None: times, group_counts = self._load_group_spectral_counts() colors = self.get_colors(2) - single_color = self.get_colors(1)[0] mask = (np.asarray(self.energy_groups_MeV) < self.spectra_cutoff_MeV) average_energies = list() bin_widths = np.diff(self.energy_groups_MeV) @@ -1032,7 +1031,7 @@ def _compare_spectral_counts(self) -> None: plt.step(np.asarray(self.energy_groups_MeV)[mask], difference, color='black') plt.xlabel(r'Energy $[MeV]$') - plt.ylabel(r'$\Delta \dot{n}_d$ $[\%]$') + plt.ylabel(r'$\Delta \dot{n}_d$ $[\% \cdot MeV^{-1}]$') plt.tight_layout() plt.savefig(f'{self.spectra_img_dir}/diff_spectra_counts_{t:.5f}.png') plt.close() From 47139f4f104df63de3eb709ad0764e9587e4cfac Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Tue, 5 May 2026 12:34:32 -0500 Subject: [PATCH 232/259] Convert probabilities into numpy array --- mosden/base.py | 1 + 1 file changed, 1 insertion(+) diff --git a/mosden/base.py b/mosden/base.py index c523cbb6..d5c4185a 100644 --- a/mosden/base.py +++ b/mosden/base.py @@ -525,6 +525,7 @@ def calculate_avg_MeV(self, MeV_bins: list[float|object], avg_e : float|object Average energy (MeV) """ + probabilities = np.asarray(probabilities) normalized_probs = probabilities / sum(probabilities) midpoints_MeV = np.asarray(self._get_midpoint_eVs(MeV_bins)) * 1e-6 energies = [midpoints_MeV[i]*normalized_probs[i] for i in range(len(normalized_probs))] From 4be418420004fa9ccf4bc102a5c769bea8bcbe65 Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Tue, 5 May 2026 13:19:38 -0500 Subject: [PATCH 233/259] Fix typo in main for concentrations --- mosden/__main__.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/mosden/__main__.py b/mosden/__main__.py index 6aa349b5..dea3ed94 100644 --- a/mosden/__main__.py +++ b/mosden/__main__.py @@ -114,7 +114,7 @@ def main(): for file in args.preprocess: _run_pre(file) elif args.concentrations: - for file in args.concs: + for file in args.concentrations: _run_concs(file) elif args.counts: for file in args.counts: From 93c99a1947098651478e50e4fd4aaccd79e12e75 Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Tue, 5 May 2026 14:16:04 -0500 Subject: [PATCH 234/259] Add a new test for checking that cfy with nonzero excore works Co-authored-by: Copilot --- tests/integration/test-data/input_ex_cfy.json | 67 +++++++++++++++++ .../test-data/input_no_ex_cfy.json | 67 +++++++++++++++++ tests/integration/test_cfy_excore.py | 71 +++++++++++++++++++ 3 files changed, 205 insertions(+) create mode 100644 tests/integration/test-data/input_ex_cfy.json create mode 100644 tests/integration/test-data/input_no_ex_cfy.json create mode 100644 tests/integration/test_cfy_excore.py diff --git a/tests/integration/test-data/input_ex_cfy.json b/tests/integration/test-data/input_ex_cfy.json new file mode 100644 index 00000000..53bc528b --- /dev/null +++ b/tests/integration/test-data/input_ex_cfy.json @@ -0,0 +1,67 @@ +{ + "name": "Excore CFY", + "file_options": { + "overwrite": { + "preprocessing": true, + "concentrations": true, + "count_rate": true, + "group_fitting": true, + "postprocessing": true, + "logger": true + }, + "processed_data_dir": "./tests/integration/output_cfy_ex", + "output_dir": "./tests/integration/output_cfy_ex", + "log_file": "./tests/integration/output_cfy_ex/log.log", + "log_level": 20 + }, + "data_options": { + "half_life": "jendl5/decay/", + "cross_section": "", + "emission_probability": "jendl5/decay/", + "fission_yield": "jendl5/fpy/", + "spectra": "jendl5/decay/", + "decay_time_spacing": "log", + "temperature_K": 920, + "density_g_cm3": 2.3275, + "energy_MeV": 0.0253e-6, + "fissile_fractions": { + "U235": 1.0 + } + }, + "modeling_options": { + "parent_feeding": false, + "concentration_handling": "CFY", + "count_rate_handling": "data", + "base_removal_scaling": 0.64, + "reprocessing_locations": ["excore"], + "reprocessing_scheme": { + "Xe": 0.0 + }, + "irrad_type": "saturation", + "incore_s": 10, + "excore_s": 10, + "net_irrad_s": 630, + "decay_time": 600, + "num_decay_times": 400 + }, + "group_options": { + "num_groups": 6, + "method": "nlls", + "samples": 1, + "parameter_guesses": 50, + "sample_func": "normal" + }, + "post_options": { + "self_relative_counts": false, + "sensitivity_subplots": true, + "plot_nuc_spectra": ["Br87", "Ga81"], + "spectra_plot_MeV_cutoff": 2, + "top_num_nuclides": { + "yield_top": 5, + "conc_top": 5, + "conc_over_time_top": 5 + }, + "pcc_cutoff": 0.2, + "lit_data": ["keepin", "brady", "synetos"] + } +} diff --git a/tests/integration/test-data/input_no_ex_cfy.json b/tests/integration/test-data/input_no_ex_cfy.json new file mode 100644 index 00000000..927ef766 --- /dev/null +++ b/tests/integration/test-data/input_no_ex_cfy.json @@ -0,0 +1,67 @@ +{ + "name": "No excore CFY", + "file_options": { + "overwrite": { + "preprocessing": true, + "concentrations": true, + "count_rate": true, + "group_fitting": true, + "postprocessing": true, + "logger": true + }, + "processed_data_dir": "./tests/integration/output_cfy_no_ex", + "output_dir": "./tests/integration/output_cfy_no_ex", + "log_file": "./tests/integration/output_cfy_no_ex/log.log", + "log_level": 20 + }, + "data_options": { + "half_life": "jendl5/decay/", + "cross_section": "", + "emission_probability": "jendl5/decay/", + "fission_yield": "jendl5/fpy/", + "spectra": "jendl5/decay/", + "decay_time_spacing": "log", + "temperature_K": 920, + "density_g_cm3": 2.3275, + "energy_MeV": 0.0253e-6, + "fissile_fractions": { + "U235": 1.0 + } + }, + "modeling_options": { + "parent_feeding": false, + "concentration_handling": "CFY", + "count_rate_handling": "data", + "base_removal_scaling": 0.64, + "reprocessing_locations": ["excore"], + "reprocessing_scheme": { + "Xe": 0.0 + }, + "irrad_type": "saturation", + "incore_s": 10, + "excore_s": 0, + "net_irrad_s": 630, + "decay_time": 600, + "num_decay_times": 400 + }, + "group_options": { + "num_groups": 6, + "method": "nlls", + "samples": 1, + "parameter_guesses": 50, + "sample_func": "normal" + }, + "post_options": { + "self_relative_counts": false, + "sensitivity_subplots": true, + "plot_nuc_spectra": ["Br87", "Ga81"], + "spectra_plot_MeV_cutoff": 2, + "top_num_nuclides": { + "yield_top": 5, + "conc_top": 5, + "conc_over_time_top": 5 + }, + "pcc_cutoff": 0.2, + "lit_data": ["keepin", "brady", "synetos"] + } +} diff --git a/tests/integration/test_cfy_excore.py b/tests/integration/test_cfy_excore.py new file mode 100644 index 00000000..7cd26556 --- /dev/null +++ b/tests/integration/test_cfy_excore.py @@ -0,0 +1,71 @@ +import os +import subprocess +from pathlib import Path +import numpy as np +import pytest +from mosden.utils.csv_handler import CSVHandler +from mosden.base import BaseClass + +@pytest.mark.slow +def test_ex_no_ex_cfy(): + + # Run input_ex_cfy.json and input_no_ex_cfy.json + ex_file = "tests/integration/test-data/input_ex_cfy.json" + no_ex_file = "tests/integration/test-data/input_no_ex_cfy.json" + + # Run mosden for both files + result_ex = subprocess.run(["mosden", "-pre", ex_file]) + assert result_ex.returncode == 0, f"mosden failed for ex file: {result_ex.stderr}" + result_ex = subprocess.run(["mosden", "-m", ex_file]) + assert result_ex.returncode == 0, f"mosden failed for ex file: {result_ex.stderr}" + + + result_noex = subprocess.run(["mosden", "-pre", no_ex_file]) + assert result_noex.returncode == 0, f"mosden failed for ex file: {result_noex.stderr}" + result_noex = subprocess.run(["mosden", "-m", no_ex_file]) + assert result_noex.returncode == 0, f"mosden failed for ex file: {result_noex.stderr}" + + # Access data for each + base_ex = BaseClass(ex_file) + base_no_ex = BaseClass(no_ex_file) + + # ex should have concentrations 1/2 that of no_ex + ex_concs = CSVHandler(Path(base_ex.output_dir) / "concentrations.csv").read_csv_with_time() + no_ex_concs = CSVHandler(Path(base_no_ex.output_dir) / "concentrations.csv").read_csv_with_time() + assert ex_concs, "Output file is empty for ex file." + assert no_ex_concs, "Output file is empty for no_ex file." + # Ex concs should be half of no_ex concs + for nuc in ex_concs: + assert nuc in no_ex_concs, f"Nucleus {nuc} not found in no_ex concentrations." + for time in ex_concs[nuc]: + assert time in no_ex_concs[nuc], f"Time {time} not found for nucleus {nuc} in no_ex concentrations." + ex_value = ex_concs[nuc][time] + no_ex_value = no_ex_concs[nuc][time] + assert np.isclose(ex_value[0], 0.5 * no_ex_value[0], rtol=1e-5, atol=1e-8), f"Concentration mismatch for {nuc} at time {time}: expected {0.5 * no_ex_value}, got {ex_value}" + + # ex should have count rate 1/2 that of no_ex + ex_count_rate = CSVHandler(Path(base_ex.output_dir) / "count_rate.csv").read_csv() + no_ex_count_rate = CSVHandler(Path(base_no_ex.output_dir) / "count_rate.csv").read_csv() + assert ex_count_rate, "Output file is empty for ex file." + assert no_ex_count_rate, "Output file is empty for no_ex file." + # Ex count rate should be half of no_ex count rate + for nuc in ex_count_rate: + assert nuc in no_ex_count_rate, f"Nucleus {nuc} not found in no_ex count rate." + for time in ex_count_rate[nuc]: + assert time in no_ex_count_rate[nuc], f"Time {time} not found for nucleus {nuc} in no_ex count rate." + ex_value = ex_count_rate[nuc][time] + no_ex_value = no_ex_count_rate[nuc][time] + assert np.isclose(ex_value, 0.5 * no_ex_value, rtol=1e-5, atol=1e-8), f"Count rate mismatch for {nuc} at time {time}: expected {0.5 * no_ex_value}, got {ex_value}" + + # Calculate total yield (summed group yields) + ex_groups = CSVHandler(Path(base_ex.output_dir) / "group_parameters.csv").read_vector_csv() + no_ex_groups = CSVHandler(Path(base_no_ex.output_dir) / "group_parameters.csv").read_vector_csv() + yield_header = 'yield' + ex_yields = ex_groups[yield_header] + no_ex_yields = no_ex_groups[yield_header] + assert ex_yields, "Group parameters file is empty for ex file." + assert no_ex_yields, "Group parameters file is empty for no_ex file." + # Summed ex yields should be identical to no_ex yields + summed_ex_yield = sum(ex_yields) + summed_no_ex_yield = sum(no_ex_yields) + assert np.isclose(summed_ex_yield, summed_no_ex_yield, rtol=1e-5, atol=1e-8), f"Yield mismatch: expected {summed_no_ex_yield}, got {summed_ex_yield}" \ No newline at end of file From d990d14d3d4d7130215a8e1d94bf91d0491e0f4d Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Thu, 7 May 2026 10:14:21 -0500 Subject: [PATCH 235/259] Set runs except group compare to false --- examples/phd_results/input.json | 1 - examples/phd_results/results_generator.py | 33 ++++++++++++----------- 2 files changed, 17 insertions(+), 17 deletions(-) diff --git a/examples/phd_results/input.json b/examples/phd_results/input.json index 802fb75c..d0330486 100644 --- a/examples/phd_results/input.json +++ b/examples/phd_results/input.json @@ -60,7 +60,6 @@ "parameter_guesses": 50, "method": "nlls", "energy_groups_MeV": [], - "_energy_groups_MeV": [0,3.00E-09,5.00E-09,6.90E-09,1.00E-08,1.50E-08,2.00E-08,2.50E-08,3.00E-08,3.50E-08,4.20E-08,5.00E-08,5.80E-08,6.70E-08,7.70E-08,8.00E-08,9.50E-08,1.00E-07,1.15E-07,1.34E-07,1.40E-07,1.60E-07,1.80E-07,1.89E-07,2.20E-07,2.48E-07,2.80E-07,3.00E-07,3.15E-07,3.20E-07,3.50E-07,3.91E-07,4.00E-07,4.33E-07,4.85E-07,5.00E-07,5.40E-07,6.25E-07,7.05E-07,7.80E-07,7.90E-07,8.50E-07,8.60E-07,9.10E-07,9.30E-07,9.50E-07,9.72E-07,9.86E-07,9.96E-07,1.02E-06,1.04E-06,1.05E-06,1.07E-06,1.10E-06,1.11E-06,1.13E-06,1.15E-06,1.17E-06,1.24E-06,1.30E-06,1.34E-06,1.37E-06,1.44E-06,1.48E-06,1.50E-06,1.59E-06,1.67E-06,1.76E-06,1.84E-06,1.93E-06,2.02E-06,2.10E-06,2.13E-06,2.36E-06,2.55E-06,2.60E-06,2.72E-06,2.77E-06,3.30E-06,3.38E-06,4.00E-06,4.13E-06,5.04E-06,5.35E-06,6.16E-06,7.52E-06,8.32E-06,9.19E-06,9.91E-06,1.12E-05,1.37E-05,1.59E-05,1.95E-05,2.26E-05,2.50E-05,2.76E-05,3.05E-05,3.37E-05,3.73E-05,4.02E-05,4.55E-05,4.83E-05,5.16E-05,5.56E-05,6.79E-05,7.57E-05,9.17E-05,1.37E-04,1.49E-04,2.04E-04,3.04E-04,3.72E-04,4.54E-04,6.77E-04,7.49E-04,9.14E-04,1.01E-03,1.23E-03,1.43E-03,1.51E-03,2.03E-03,2.25E-03,3.35E-03,3.53E-03,5.00E-03,5.50E-03,7.47E-03,9.12E-03,1.11E-02,1.50E-02,1.66E-02,2.48E-02,2.74E-02,2.93E-02,3.70E-02,4.09E-02,5.52E-02,6.74E-02,8.23E-02,1.11E-01,1.23E-01,1.83E-01,2.47E-01,2.73E-01,3.02E-01,4.08E-01,4.50E-01,4.98E-01,5.50E-01,6.08E-01,8.21E-01,9.07E-01,1.00E+00,1.11E+00,1.22E+00,1.35E+00,1.65E+00,2.02E+00,2.23E+00,2.47E+00,3.01E+00,3.68E+00,4.49E+00,5.49E+00,6.07E+00,6.70E+00,8.19E+00,1.00E+01,1.00E+03], "samples": 1, "sample_func": "normal" }, diff --git a/examples/phd_results/results_generator.py b/examples/phd_results/results_generator.py index 90af9206..5ff62f4b 100644 --- a/examples/phd_results/results_generator.py +++ b/examples/phd_results/results_generator.py @@ -15,11 +15,12 @@ residence_time_analysis = { 'meta': { 'name': name, - 'run_full': True, - 'run_post': True, + 'run_full': False, + 'run_post': False, 'overwrite': True, }, 'net_irrad_s': [100], + 'reprocessing_scheme': [Reprocessing(base_input_file).removal_scheme(rate_scaling=0.0)], 'incore_s': [0.5, 1, 1.5, 2, 2.5, 3, 3.5], 'excore_s': [0, 0.5, 1, 1.5, 2, 2.5, 3], 'multi_id': [name] @@ -30,8 +31,8 @@ decay_times_analysis = { 'meta': { 'name': name, - 'run_full': True, - 'run_post': True, + 'run_full': False, + 'run_post': False, 'overwrite': True }, 'num_decay_times': [50, 100, 150, 200, 250, 400, 800], @@ -43,8 +44,8 @@ omc_timestep_analysis = { 'meta': { 'name': name, - 'run_full': True, - 'run_post': True, + 'run_full': False, + 'run_post': False, 'overwrite': True }, 'max_timestep': [0.1, 0.05, 0.01, 0.005, 0.001], @@ -56,8 +57,8 @@ total_decay_analysis = { 'meta': { 'name': name, - 'run_full': True, - 'run_post': True, + 'run_full': False, + 'run_post': False, 'overwrite': True }, 'decay_time': [150, 300, 600, 1200, 2400, 4800], @@ -69,8 +70,8 @@ flux_analysis = { 'meta': { 'name': name, - 'run_full': True, - 'run_post': True, + 'run_full': False, + 'run_post': False, 'overwrite': True }, 'incore_s': [9], @@ -85,8 +86,8 @@ chem_analysis = { 'meta': { 'name': name, - 'run_full': True, - 'run_post': True, + 'run_full': False, + 'run_post': False, 'overwrite': True }, 'incore_s':[9], @@ -102,8 +103,8 @@ vf_analysis = { 'meta': { 'name': name, - 'run_full': True, - 'run_post': True, + 'run_full': False, + 'run_post': False, 'overwrite': True }, 'incore_s': [9], @@ -140,8 +141,8 @@ group_analysis = { 'meta': { 'name': name, - 'run_full': False, - 'run_post': True, + 'run_full': True, + 'run_post': False, 'overwrite': True }, 'incore_s': [9], From f827678d57566394efa560b6047089d67993286f Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Thu, 7 May 2026 10:22:50 -0500 Subject: [PATCH 236/259] Add MSRE chemical removal rates --- mosden/data/chemical_rates/MSRE.csv | 13 +++++++++++++ 1 file changed, 13 insertions(+) create mode 100644 mosden/data/chemical_rates/MSRE.csv diff --git a/mosden/data/chemical_rates/MSRE.csv b/mosden/data/chemical_rates/MSRE.csv new file mode 100644 index 00000000..26980f52 --- /dev/null +++ b/mosden/data/chemical_rates/MSRE.csv @@ -0,0 +1,13 @@ +Element,Scaled Rate +Xe,4.067e-5 +Kr,4.067e-5 +Mo,8.667e-3 +Tc,8.667e-3 +Ru,8.667e-3 +Rh,8.667e-3 +Pd,8.667e-3 +Ag,8.667e-3 +Sb,8.667e-3 +Se,8.667e-3 +Nb,8.667e-3 +Te,8.667e-3 \ No newline at end of file From 0df7b32fc4487c9c4927652572afacb8f87b063c Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Thu, 7 May 2026 10:40:25 -0500 Subject: [PATCH 237/259] Add chemical rate items to be tracked --- .gitignore | 1 + 1 file changed, 1 insertion(+) diff --git a/.gitignore b/.gitignore index 98d8cdec..4045ae0e 100644 --- a/.gitignore +++ b/.gitignore @@ -162,6 +162,7 @@ cython_debug/ #.idea/ /mosden/data/ +!/mosden/data/chemical_rates/* /tests/integration/output* /tests/integration/data_output /mosden/results* From 7cef3ac2d069b5723a976081ed816448fb800d02 Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Thu, 7 May 2026 14:18:14 -0500 Subject: [PATCH 238/259] Adjust scaling so that non-zero excore yields are correct --- mosden/groupfit.py | 4 ++-- mosden/postprocessing.py | 6 ++++++ 2 files changed, 8 insertions(+), 2 deletions(-) diff --git a/mosden/groupfit.py b/mosden/groupfit.py index 54634ac8..d80eb6c4 100644 --- a/mosden/groupfit.py +++ b/mosden/groupfit.py @@ -303,7 +303,7 @@ def _get_saturation_fission_term(self, lam: float, exp: Callable) -> float: for j in range(irrad_circs+1, recircs+1): fiss_term += 1 - exp(-lam*(self.t_net-j*t_sum)) - return fiss_term * self.refined_fission_term + return fiss_term #* self.refined_fission_term def _intermediate_numerical_fit_function(self, @@ -406,7 +406,7 @@ def _set_refined_fission_term(self, fine_times: np.ndarray[float]) -> float: self.fission_term, self.fission_times = concs._calculate_fission_term() self.full_fission_term, _ = concs._calculate_fission_term(False) if not self.omc: - self.refined_fission_term = np.mean(self.fission_term) + self.refined_fission_term = 1.0 #np.mean(self.fission_term) return self.refined_fission_term refined_term = list() diff --git a/mosden/postprocessing.py b/mosden/postprocessing.py index e285c031..1499ce5b 100644 --- a/mosden/postprocessing.py +++ b/mosden/postprocessing.py @@ -1596,7 +1596,9 @@ def _get_sorted_dnp_data(self) -> tuple[dict, dict, dict]: if self.omc: concs = Concentrations(self.input_path) + group = Grouper(self.input_path) fission_term, fission_times = concs._calculate_fission_term(only_incore=False) + group._set_refined_fission_term(fission_times) dx = np.diff(fission_times) concentration_data = CSVHandler( self.concentration_path, @@ -1627,6 +1629,10 @@ def _get_sorted_dnp_data(self) -> tuple[dict, dict, dict]: decay_delnus = simpson(delnus_over_time[irrad_index:], times[irrad_index:]) total_delnus = irrad_delnus + decay_delnus yield_val = total_delnus / total_fissions + effective_fission_term = group._get_effective_fission(np.asarray([lam_val.n]), + np.exp, + np.expm1)[0] + yield_val = delnus_over_time[irrad_index] / effective_fission_term nuc_yield[nuc] = yield_val self.total_delayed_neutrons += (Pn * N).n From d78268fd0b16817bacb71f0e8f1f336f90fb8593 Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Fri, 8 May 2026 12:32:19 -0500 Subject: [PATCH 239/259] Comment yield val calc; apply pre step to fill between and modulate markers --- mosden/postprocessing.py | 16 ++++++++++------ 1 file changed, 10 insertions(+), 6 deletions(-) diff --git a/mosden/postprocessing.py b/mosden/postprocessing.py index 1499ce5b..f58fcaa8 100644 --- a/mosden/postprocessing.py +++ b/mosden/postprocessing.py @@ -801,7 +801,7 @@ def _plot_sensitivities(self, off_nominal: bool = True, label=f'Group {group_i + 1}', alpha=0.5, s=4, - marker=self.markers[group_i], + marker=self.markers[group_i%len(self.markers)], color=colors[group_i]) xlab, ylab = self._configure_x_y_labels( name_dnp, gname, off_nominal, relative_diff) @@ -1147,7 +1147,11 @@ def _plot_MC_group_spectra(self, spectra_params: np.ndarray[np.ndarray[object]]) plt.step(np.asarray(self.energy_groups_MeV)[mask], np.asarray(mean_spectrum)[mask], label=f'Group {group+1}', color=colors[group]) plt.fill_between(np.asarray(self.energy_groups_MeV)[mask], - np.asarray(lower)[mask], np.asarray(upper)[mask], color=colors[group], alpha=0.5) + np.asarray(lower)[mask], + np.asarray(upper)[mask], + color=colors[group], + alpha=0.5, + step='pre') plt.xlabel(r'Energy $[MeV]$') plt.ylabel(r'Probability $[MeV^{-1}]$') plt.legend() @@ -1629,10 +1633,10 @@ def _get_sorted_dnp_data(self) -> tuple[dict, dict, dict]: decay_delnus = simpson(delnus_over_time[irrad_index:], times[irrad_index:]) total_delnus = irrad_delnus + decay_delnus yield_val = total_delnus / total_fissions - effective_fission_term = group._get_effective_fission(np.asarray([lam_val.n]), - np.exp, - np.expm1)[0] - yield_val = delnus_over_time[irrad_index] / effective_fission_term + #effective_fission_term = group._get_effective_fission(np.asarray([lam_val.n]), + # np.exp, + # np.expm1)[0] + #yield_val = delnus_over_time[irrad_index] / effective_fission_term nuc_yield[nuc] = yield_val self.total_delayed_neutrons += (Pn * N).n From 17dcfcb100a9a27b0254799b92eb96dd6d6a0a8e Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Mon, 11 May 2026 14:13:15 -0500 Subject: [PATCH 240/259] Add relevant files for calculating Moltres MSRE-like problem (initial commit) --- .../MSRE_moltres/work_in_progress/README.md | 24 ++ .../work_in_progress/eigen_eval.i | 254 +++++++++++++++++ examples/MSRE_moltres/work_in_progress/mesh.e | Bin 0 -> 96556 bytes examples/MSRE_moltres/work_in_progress/mesh.i | 119 ++++++++ .../openmc/lattice-openmc-1200.py | 111 ++++++++ .../openmc/lattice-openmc-900.py | 111 ++++++++ .../work_in_progress/openmc/xsdata.inp | 21 ++ .../work_in_progress/precursor_dist_calc.i | 266 ++++++++++++++++++ examples/MSRE_moltres/work_in_progress/sub.i | 215 ++++++++++++++ .../MSRE_moltres/work_in_progress/xsdata.json | 254 +++++++++++++++++ .../work_in_progress/xsdata_mod.json | 254 +++++++++++++++++ .../work_in_progress/xsdata_noDNP.json | 244 ++++++++++++++++ 12 files changed, 1873 insertions(+) create mode 100644 examples/MSRE_moltres/work_in_progress/README.md create mode 100644 examples/MSRE_moltres/work_in_progress/eigen_eval.i create mode 100644 examples/MSRE_moltres/work_in_progress/mesh.e create mode 100644 examples/MSRE_moltres/work_in_progress/mesh.i create mode 100644 examples/MSRE_moltres/work_in_progress/openmc/lattice-openmc-1200.py create mode 100644 examples/MSRE_moltres/work_in_progress/openmc/lattice-openmc-900.py create mode 100644 examples/MSRE_moltres/work_in_progress/openmc/xsdata.inp create mode 100644 examples/MSRE_moltres/work_in_progress/precursor_dist_calc.i create mode 100644 examples/MSRE_moltres/work_in_progress/sub.i create mode 100644 examples/MSRE_moltres/work_in_progress/xsdata.json create mode 100644 examples/MSRE_moltres/work_in_progress/xsdata_mod.json create mode 100644 examples/MSRE_moltres/work_in_progress/xsdata_noDNP.json diff --git a/examples/MSRE_moltres/work_in_progress/README.md b/examples/MSRE_moltres/work_in_progress/README.md new file mode 100644 index 00000000..0436d741 --- /dev/null +++ b/examples/MSRE_moltres/work_in_progress/README.md @@ -0,0 +1,24 @@ +Simulates a 2D MSRE-like system. + - uses multiapp to simulate primary loop as 1D problem + +# To simulate: + +1. Convert `mesh.i` into `mesh.e` (not certain how yet) + +2. Run the input file `precursor_dist_calc.i` in this directory: + `mpirun -np 8 moltres-opt -i precursor_dist_calc.i`. This will generate the + temperature and precursor distributions at steady-state. + +3. Run the `eigen_eval.i` input file to get the eigenvalue of that solve. Steps + 2 and 3 can be repeated for various `xsdata.json` files depending on the + DNP group parameters selected. + + +## Problem(s) +- The group fluxes are exceedingly small in `precursor_dist_calc`, which leads + to incorrect precursor distributions and temperatures. Potential solutions + are to assume a constant temperature profile, which may resolve this issue. + However, using a constant inlet temperature previously did not fix the + problem previously. Instead, a function should set an AuxVar temperature. + + diff --git a/examples/MSRE_moltres/work_in_progress/eigen_eval.i b/examples/MSRE_moltres/work_in_progress/eigen_eval.i new file mode 100644 index 00000000..31cb7d4f --- /dev/null +++ b/examples/MSRE_moltres/work_in_progress/eigen_eval.i @@ -0,0 +1,254 @@ +[GlobalParams] + num_groups = 2 + num_precursor_groups = 6 + use_exp_form = false + group_fluxes = 'group1 group2' + temperature = temp + sss2_input = false + pre_concs = 'pre1 pre2 pre3 pre4 pre5 pre6' + account_delayed = true +[] + +[Problem] + allow_initial_conditions_with_restart = true +[] + +[Mesh] + file = './precursor_dist_calc.e' +[../] + +[AuxVariables] + [./temp] + scaling = 1e-4 + initial_from_file_var = temp + initial_from_file_timestep = LATEST + [../] + [pre1] + family = MONOMIAL + order = CONSTANT + initial_from_file_var = pre1 + initial_from_file_timestep = LATEST + block = 'fuel' + [] + [pre2] + family = MONOMIAL + order = CONSTANT + initial_from_file_var = pre2 + initial_from_file_timestep = LATEST + block = 'fuel' + [] + [pre3] + family = MONOMIAL + order = CONSTANT + initial_from_file_var = pre3 + initial_from_file_timestep = LATEST + block = 'fuel' + [] + [pre4] + family = MONOMIAL + order = CONSTANT + initial_from_file_var = pre4 + initial_from_file_timestep = LATEST + block = 'fuel' + [] + [pre5] + family = MONOMIAL + order = CONSTANT + initial_from_file_var = pre5 + initial_from_file_timestep = LATEST + block = 'fuel' + [] + [pre6] + family = MONOMIAL + order = CONSTANT + initial_from_file_var = pre6 + initial_from_file_timestep = LATEST + block = 'fuel' + [] +[] + +[Variables] + [./group1] + order = FIRST + family = LAGRANGE + initial_from_file_var = group1 + initial_from_file_timestep = LATEST + scaling = 1e4 + [../] + [./group2] + order = FIRST + family = LAGRANGE + scaling = 1e4 + initial_from_file_var = group2 + initial_from_file_timestep = LATEST + [../] +[] + + +[Nt] + var_name_base = group + vacuum_boundaries = 'fuel_bottoms fuel_tops moder_bottoms moder_tops outer_wall' + pre_blocks = 'fuel' + create_temperature_var = false + eigen = true +[] + + + +[Materials] + [./fuel] + type = GenericMoltresMaterial + property_tables_root = '../../../property_file_dir/newt_msre_fuel_' + interp_type = 'spline' + block = 'fuel' + prop_names = 'k cp' + prop_values = '.0553 1967' # Robertson MSRE technical report @ 922 K + [../] + [./rho_fuel] + type = DerivativeParsedMaterial + f_name = rho + function = '2.146e-3 * exp(-1.8 * 1.18e-4 * (temp - 922))' + coupled_variables = 'temp' + derivative_order = 1 + block = 'fuel' + [../] + [./moder] + type = GenericMoltresMaterial + property_tables_root = '../../../property_file_dir/newt_msre_mod_' + interp_type = 'spline' + prop_names = 'k cp' + prop_values = '.312 1760' # Cammi 2011 at 908 K + block = 'moder' + [../] + [./rho_moder] + type = DerivativeParsedMaterial + f_name = rho + function = '1.86e-3 * exp(-1.8 * 1.0e-5 * (temp - 922))' + coupled_variables = 'temp' + derivative_order = 1 + block = 'moder' + [../] +[] + + +[Executioner] + type = Eigenvalue + initial_eigenvalue = 1 + solve_type = 'PJFNK' + petsc_options = '-snes_converged_reason -ksp_converged_reason -snes_linesearch_monitor' + petsc_options_iname = '-pc_type -pc_hypre_type' + petsc_options_value = 'hypre boomeramg' + + automatic_scaling = true + compute_scaling_once = false + resid_vs_jac_scaling_param = 0.1 + + line_search = none +[] + + + + +[Postprocessors] + [pre1_integral] + type = ElementIntegralVariablePostprocessor + variable = pre1 + execute_on = linear + block = 'fuel' + [] + [k_eff] + type = VectorPostprocessorComponent + index = 0 + vectorpostprocessor = k_vpp + vector_name = eigen_values_real + [] + [bnorm] + type = ElmIntegTotFissNtsPostprocessor + block = 'fuel' + execute_on = linear + [] + [tot_fissions] + type = ElmIntegTotFissPostprocessor + execute_on = linear + [] + [powernorm] + type = ElmIntegTotFissHeatPostprocessor + execute_on = linear + [] + [group1norm] + type = ElementIntegralVariablePostprocessor + variable = group1 + execute_on = linear + [] + [group1max] + type = NodalExtremeValue + value_type = max + variable = group1 + execute_on = timestep_end + [] + [group1diff] + type = ElementL2Diff + variable = group1 + execute_on = 'linear timestep_end' + use_displaced_mesh = false + [] + [group2norm] + type = ElementIntegralVariablePostprocessor + variable = group2 + execute_on = linear + [] + [group2max] + type = NodalExtremeValue + value_type = max + variable = group2 + execute_on = timestep_end + [] + [group2diff] + type = ElementL2Diff + variable = group2 + execute_on = 'linear timestep_end' + use_displaced_mesh = false + [] + # MULTIAPP + [./inlet_mean_temp] + type = Receiver + initialize_old = true + execute_on = 'timestep_begin' + [../] +[] + +[VectorPostprocessors] + [k_vpp] + type = Eigenvalues + inverse_eigenvalue = false + [] + [centerline_flux] + type = LineValueSampler + variable = 'group1 group2' + start_point = '0 0 0' + end_point = '0 150 0' + num_points = 151 + sort_by = y + execute_on = FINAL + [] + [midplane_flux] + type = LineValueSampler + variable = 'group1 group2' + start_point = '0 75 0' + end_point = '69.375 75 0' + num_points = 100 + sort_by = x + execute_on = FINAL + [] +[] + +[Outputs] + perf_graph = true + print_linear_residuals = true + [exodus] + type = Exodus + [] + [csv] + type = CSV + [] +[] \ No newline at end of file diff --git a/examples/MSRE_moltres/work_in_progress/mesh.e b/examples/MSRE_moltres/work_in_progress/mesh.e new file mode 100644 index 0000000000000000000000000000000000000000..71f57bdd40bf28ca6d4307c9f18ce36b40ae99fe GIT binary patch literal 96556 zcmeF4dAwHh-oNj?ckNwCl8`AOBqU@`Hj+#UA)-m8XwpE4GH1>_lX)idOy-%)Gnwak zo`2W1)@N<&te&3RbDs13{>bk2x_sZ?>vQ+s?eBNpw~liXc0Y2|puuC4d86qpjdX*D z59URU7GmEd-S-|Mm5&`T7Q*&HnmyfNyF~`gO-zvSz{g!ubkr_5b2^op8MhuUq54 zaQ53bPxk8{nS9w&^M7^8udm?zvZb#7`Z~XCY2d#)zijb!e%a)8O<8MTo&lqW_1k;! 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z-sbXl?qCQ*8OAc3)ukTwX+T37(VN$Joy9C+DL$sKZ#S3S=|N9=;bRIrm$7YG%2A#Q zRHPk~nZi`2F`XIq4k@`$dHgKA2K6`}cnuQFq!`Z^VPl%mo+1XaoE2BxW19GSOLlNQD7o%AG4OmCcuic`rr70jR`3?@;CZ#MQIQ?` z(3gJnX8`^z;bvP@qB5RWqH0vfpD7y2Op2MsZ06w4R@ke(%OX0^kxq1G1)JE+_x#8f zw*I-_aF-*wi&2bWtS_%JjcLLGG^H6WC}ue;c#C&f$toKb(TBeDqdx-}$YxtsqB2#f fMs;d1l9?1Ui`mR!?jL&>emAPf^$v8T6P^DB(;HgE literal 0 HcmV?d00001 diff --git a/examples/MSRE_moltres/work_in_progress/mesh.i b/examples/MSRE_moltres/work_in_progress/mesh.i new file mode 100644 index 00000000..a610d995 --- /dev/null +++ b/examples/MSRE_moltres/work_in_progress/mesh.i @@ -0,0 +1,119 @@ +[Mesh] + [fuel_left] + type = GeneratedMeshGenerator + dim = 2 + xmin = 0 + xmax = 0.625 + ymin = 0 + ymax = 150 + nx = 2 + ny = 15 + [] + [fuel_right] + type = GeneratedMeshGenerator + dim = 2 + xmin = 4.375 + xmax = 5 + ymin = 0 + ymax = 150 + nx = 2 + ny = 15 + [] + [moderator] + type = GeneratedMeshGenerator + dim = 2 + xmin = 0.625 + xmax = 4.375 + ymin = 0 + ymax = 150 + nx = 6 + ny = 15 + [] + [unit_mesh] + type = StitchedMeshGenerator + inputs = 'fuel_left moderator fuel_right' + stitch_boundaries_pairs = 'right left; + right left; + right left' + [] + [mod_block] + type = SubdomainBoundingBoxGenerator + input = unit_mesh + block_id = 1 + bottom_left = '0.625 0 0' + top_right = '4.375 150 0' + [] + [patterned_mesh] + type = PatternedMeshGenerator + inputs = 'mod_block' + pattern = '0 0 0 0 0 0 0 0 0 0 0 0 0' + x_width = 5 + [] + [fuel_last] + type = GeneratedMeshGenerator + dim = 2 + xmin = 65 + xmax = 65.625 + ymin = 0 + ymax = 150 + nx = 2 + ny = 15 + [] + [mod_last] + type = GeneratedMeshGenerator + dim = 2 + xmin = 65.625 + xmax = 69.375 + ymin = 0 + ymax = 150 + nx = 6 + ny = 15 + [] + [full_mesh] + type = StitchedMeshGenerator + inputs = 'patterned_mesh fuel_last mod_last' + stitch_boundaries_pairs = 'right left; + right left; + right left' + [] + [mod_last_block] + type = SubdomainBoundingBoxGenerator + input = full_mesh + block_id = 1 + bottom_left = '65.625 0 0' + top_right = '69.375 150 0' + [] + [fuel_top_boundary] + type = SideSetsAroundSubdomainGenerator + input = mod_last_block + block = 0 + new_boundary = 'fuel_top' + normal = '0 1 0' + [] + [mod_top_boundary] + type = SideSetsAroundSubdomainGenerator + input = fuel_top_boundary + block = 1 + new_boundary = 'mod_top' + normal = '0 1 0' + [] + [fuel_bottom_boundary] + type = SideSetsAroundSubdomainGenerator + input = mod_top_boundary + block = 0 + new_boundary = 'fuel_bottom' + normal = '0 -1 0' + [] + [mod_bottom_boundary] + type = SideSetsAroundSubdomainGenerator + input = fuel_bottom_boundary + block = 1 + new_boundary = 'mod_bottom' + normal = '0 -1 0' + [] + [delete_boundaries] + type = BoundaryDeletionGenerator + input = mod_bottom_boundary + boundary_names = 'top bottom' + [] +[] diff --git a/examples/MSRE_moltres/work_in_progress/openmc/lattice-openmc-1200.py b/examples/MSRE_moltres/work_in_progress/openmc/lattice-openmc-1200.py new file mode 100644 index 00000000..d5ad1b37 --- /dev/null +++ b/examples/MSRE_moltres/work_in_progress/openmc/lattice-openmc-1200.py @@ -0,0 +1,111 @@ +import openmc +import sys +import os +import matplotlib.pyplot as plt +import numpy as np +sys.path.insert(1, '/home/smpark/projects/moltres/python') +from moltres_xs import openmc_xs # noqa: E402 + +# %% Materials + +fuel = openmc.Material(material_id=101) +# Fuel composition at initial criticality (U235 = 65.25kg) +fuel_dens = 2.1838 +fuel.set_density('g/cm3', fuel_dens) +fuel_elements = {'Li7': 507.27 * .99995, + 'Li6': 507.27 * .00005, + 'Be': 293.96, + 'F': 3103.22, + 'Zr': 513.97, + 'U234': .67, + 'U235': 65.25, + 'U236': .27, + 'U238': 141.91} +total_fuel_weight = sum(fuel_elements.values()) +for i in fuel_elements.keys(): + if i == 'Zr' or i == 'F' or i == 'Be': + fuel.add_element(i, fuel_elements[i]/total_fuel_weight, 'wo') + else: + fuel.add_nuclide(i, fuel_elements[i]/total_fuel_weight, 'wo') +fuel.add_s_alpha_beta('c_Be') +fuel.temperature = 1200 + +graphite = openmc.Material(material_id=102) +graphite_dens = 1.85 +graphite.set_density('g/cm3', graphite_dens) +graphite.add_nuclide('C0', 1, 'wo') +graphite.add_s_alpha_beta('c_Graphite') +graphite.temperature = 1200 + +mats = openmc.Materials((fuel, graphite)) + +# %% Geometry + +bot_plane = openmc.YPlane(y0=0, boundary_type="reflective") +top_plane = openmc.YPlane(y0=1, boundary_type="reflective") +left_plane = openmc.XPlane(x0=0, boundary_type="reflective") +right_plane = openmc.XPlane(x0=5, boundary_type="reflective") +itf1_plane = openmc.XPlane(x0=.625, boundary_type="transmission") +itf2_plane = openmc.XPlane(x0=4.325, boundary_type="transmission") + +all_cells = [] + +left_fuel_cell = openmc.Cell(fill=fuel, cell_id=101) +left_fuel_cell.region = -top_plane & +bot_plane & +left_plane & -itf1_plane +all_cells.append(left_fuel_cell) + +graphite_cell = openmc.Cell(fill=graphite, cell_id=102) +graphite_cell.region = -top_plane & +bot_plane & +itf1_plane & -itf2_plane +all_cells.append(graphite_cell) + +right_fuel_cell = openmc.Cell(fill=fuel, cell_id=103) +right_fuel_cell.region = -top_plane & +bot_plane & +itf2_plane & -right_plane +all_cells.append(right_fuel_cell) + +universe = openmc.Universe(cells=all_cells) + +# %% Plot +universe.plot(origin=(2.5, 0.5, 0), + width=(5, 1), + color_by="material", + colors={fuel: "red", + graphite: "grey"}) + +# %% settings +batches = 100 +inactive = 20 +particles = 5000 + +settings = openmc.Settings() +box = openmc.stats.Box((0, 0, 0), (5, 1, 0)) +src = openmc.Source(space=box) +settings.source = src +settings.batches = batches +settings.inactive = inactive +settings.particles = particles +settings.output = {'tallies': False} +settings.temperature = {'multipole': True, + 'method': 'interpolation', + 'default': 1200.} + +# %% Moltres group constants +tallies_file = openmc.Tallies() +mats_id = [] +for m in mats: + mats_id.append(m.id) +domain_dict = openmc_xs.generate_openmc_tallies_xml( + [1e-5, 1e0, 1e8], + list(range(1, 7)), + mats, + mats_id, + tallies_file, +) + +# generate XML +mats.export_to_xml() + +geom = openmc.Geometry(universe) +geom.export_to_xml() + +settings.export_to_xml() +tallies_file.export_to_xml() diff --git a/examples/MSRE_moltres/work_in_progress/openmc/lattice-openmc-900.py b/examples/MSRE_moltres/work_in_progress/openmc/lattice-openmc-900.py new file mode 100644 index 00000000..fa8f3756 --- /dev/null +++ b/examples/MSRE_moltres/work_in_progress/openmc/lattice-openmc-900.py @@ -0,0 +1,111 @@ +import openmc +import sys +import os +import matplotlib.pyplot as plt +import numpy as np +sys.path.insert(1, '/home/smpark/projects/moltres/python') +from moltres_xs import openmc_xs # noqa: E402 + +# %% Materials + +fuel = openmc.Material(material_id=101) +# Fuel composition at initial criticality (U235 = 65.25kg) +fuel_dens = 2.3275 +fuel.set_density('g/cm3', 2.3275) +fuel_elements = {'Li7': 507.27 * .99995, + 'Li6': 507.27 * .00005, + 'Be': 293.96, + 'F': 3103.22, + 'Zr': 513.97, + 'U234': .67, + 'U235': 65.25, + 'U236': .27, + 'U238': 141.91} +total_fuel_weight = sum(fuel_elements.values()) +for i in fuel_elements.keys(): + if i == 'Zr' or i == 'F' or i == 'Be': + fuel.add_element(i, fuel_elements[i]/total_fuel_weight, 'wo') + else: + fuel.add_nuclide(i, fuel_elements[i]/total_fuel_weight, 'wo') +fuel.add_s_alpha_beta('c_Be') +fuel.temperature = 900 + +graphite = openmc.Material(material_id=102) +graphite_dens = 1.86 +graphite.set_density('g/cm3', graphite_dens) +graphite.add_nuclide('C0', 1, 'wo') +graphite.add_s_alpha_beta('c_Graphite') +graphite.temperature = 900 + +mats = openmc.Materials((fuel, graphite)) + +# %% Geometry + +bot_plane = openmc.YPlane(y0=0, boundary_type="reflective") +top_plane = openmc.YPlane(y0=1, boundary_type="reflective") +left_plane = openmc.XPlane(x0=0, boundary_type="reflective") +right_plane = openmc.XPlane(x0=5, boundary_type="reflective") +itf1_plane = openmc.XPlane(x0=.625, boundary_type="transmission") +itf2_plane = openmc.XPlane(x0=4.325, boundary_type="transmission") + +all_cells = [] + +left_fuel_cell = openmc.Cell(fill=fuel, cell_id=101) +left_fuel_cell.region = -top_plane & +bot_plane & +left_plane & -itf1_plane +all_cells.append(left_fuel_cell) + +graphite_cell = openmc.Cell(fill=graphite, cell_id=102) +graphite_cell.region = -top_plane & +bot_plane & +itf1_plane & -itf2_plane +all_cells.append(graphite_cell) + +right_fuel_cell = openmc.Cell(fill=fuel, cell_id=103) +right_fuel_cell.region = -top_plane & +bot_plane & +itf2_plane & -right_plane +all_cells.append(right_fuel_cell) + +universe = openmc.Universe(cells=all_cells) + +# %% Plot +universe.plot(origin=(2.5, 0.5, 0), + width=(5, 1), + color_by="material", + colors={fuel: "red", + graphite: "grey"}) + +# %% settings +batches = 100 +inactive = 20 +particles = 5000 + +settings = openmc.Settings() +box = openmc.stats.Box((0, 0, 0), (5, 1, 0)) +src = openmc.Source(space=box) +settings.source = src +settings.batches = batches +settings.inactive = inactive +settings.particles = particles +settings.output = {'tallies': False} +settings.temperature = {'multipole': True, + 'method': 'interpolation', + 'default': 900.} + +# %% Moltres group constants +tallies_file = openmc.Tallies() +mats_id = [] +for m in mats: + mats_id.append(m.id) +domain_dict = openmc_xs.generate_openmc_tallies_xml( + [1e-5, 1e0, 1e8], + list(range(1, 7)), + mats, + mats_id, + tallies_file, +) + +# generate XML +mats.export_to_xml() + +geom = openmc.Geometry(universe) +geom.export_to_xml() + +settings.export_to_xml() +tallies_file.export_to_xml() diff --git a/examples/MSRE_moltres/work_in_progress/openmc/xsdata.inp b/examples/MSRE_moltres/work_in_progress/openmc/xsdata.inp new file mode 100644 index 00000000..bf4fcb39 --- /dev/null +++ b/examples/MSRE_moltres/work_in_progress/openmc/xsdata.inp @@ -0,0 +1,21 @@ +[TITLE] + xsdata.json + +[MAT] + 2 + fuel graphite + +[BRANCH] + 6 + fuel 600 1 1 101 1 + fuel 900 2 1 101 1 + fuel 1200 3 1 101 1 + graphite 600 1 1 102 1 + graphite 900 2 1 102 1 + graphite 1200 3 1 102 1 + +[FILES] + 3 + statepoint-600.100.h5 openmc lattice-openmc-600.py summary-600.h5 + statepoint-900.100.h5 openmc lattice-openmc-900.py summary-900.h5 + statepoint-1200.100.h5 openmc lattice-openmc-1200.py summary-1200.h5 diff --git a/examples/MSRE_moltres/work_in_progress/precursor_dist_calc.i b/examples/MSRE_moltres/work_in_progress/precursor_dist_calc.i new file mode 100644 index 00000000..2553dbd3 --- /dev/null +++ b/examples/MSRE_moltres/work_in_progress/precursor_dist_calc.i @@ -0,0 +1,266 @@ +flow_velocity=21.7 # cm/s. See MSRE-properties.ods +nt_scale=1 +ini_temp=922 + +[GlobalParams] + num_groups = 2 + num_precursor_groups = 6 + use_exp_form = false + group_fluxes = 'group1 group2' + temperature = temp + sss2_input = false + pre_concs = 'pre1 pre2 pre3 pre4 pre5 pre6' + account_delayed = true + base_file = 'xsdata_mod.json' +[] + +[Mesh] + coord_type = RZ + [mesh] + type = FileMeshGenerator + file = 'mesh.e' + [] +[] + +[Nt] + var_name_base = group + vacuum_boundaries = 'fuel_bottom fuel_top mod_bottom mod_top right' + create_temperature_var = false + pre_blocks = '0' +[] + +[Variables] + [./temp] + initial_condition = ${ini_temp} + [../] +[] + +[Precursors] + [./core] + var_name_base = pre + block = '0' + outlet_boundaries = 'fuel_top' + u_def = 0 + v_def = ${flow_velocity} + w_def = 0 + nt_exp_form = false + family = MONOMIAL + order = CONSTANT + loop_precursors = true + multi_app = loopApp + is_loopapp = false + inlet_boundaries = 'fuel_bottom' + [../] +[] + +[Kernels] + # Temperature + [./temp_time_derivative] + type = MatINSTemperatureTimeDerivative + variable = temp + [../] + [./temp_source_fuel] + type = TransientFissionHeatSource + variable = temp + nt_scale=${nt_scale} + block = '0' + [../] + [./temp_diffusion] + type = MatDiffusion + diffusivity = 'k' + variable = temp + [../] + [./temp_advection_fuel] + type = ConservativeTemperatureAdvection + velocity = '0 ${flow_velocity} 0' + variable = temp + block = '0' + [../] +[] + +[BCs] + [./fuel_bottom_looped] + boundary = 'fuel_bottom right' + type = PostprocessorDirichletBC + postprocessor = inlet_mean_temp + variable = temp + [../] + [./temp_advection_outlet] + boundary = 'fuel_top' + type = TemperatureOutflowBC + variable = temp + velocity = '0 ${flow_velocity} 0' + [../] + #[temp_inlet] + # boundary = 'fuel_bottom' + # type = DirichletBC + # variable = temp + # value = ${ini_temp} + #[] +[] + +[Materials] + [./fuel] + type = MoltresJsonMaterial + interp_type = LINEAR + block = '0' + material_key = 'fuel' + prop_names = 'k cp' + prop_values = '.0553 1967' # Robertson MSRE technical report @ 922 K + [../] + [./rho_fuel] + type = DerivativeParsedMaterial + f_name = rho + function = '2.146e-3 * exp(-1.8 * 1.18e-4 * (temp - 922))' + coupled_variables = 'temp' + derivative_order = 1 + block = '0' + [../] + [./moder] + type = MoltresJsonMaterial + interp_type = LINEAR + material_key = 'graphite' + prop_names = 'k cp' + prop_values = '.312 1760' # Cammi 2011 at 908 K + block = '1' + [../] + [./rho_moder] + type = DerivativeParsedMaterial + f_name = rho + function = '1.86e-3 * exp(-1.8 * 1.0e-5 * (temp - 922))' + coupled_variables = 'temp' + derivative_order = 1 + block = '1' + [../] +[] + +[Executioner] + type = Transient + end_time = 11000 + compute_scaling_once = false + automatic_scaling = true + scaling_group_variables = 'group1 group2; pre1 pre2 pre3 pre4 pre5 pre6; temp' + + nl_rel_tol = 1e-5 + nl_abs_tol = 1e-5 + + solve_type = 'PJFNK' + petsc_options = '-snes_converged_reason -ksp_converged_reason -snes_linesearch_monitor' + petsc_options_iname = '-pc_type' + petsc_options_value = 'lu' + line_search = 'none' + + nl_max_its = 30 + l_max_its = 100 + + dtmin = 1e-5 + # dtmax = 1 + # dt = 1e-3 + [./TimeStepper] + type = IterationAdaptiveDT + dt = 1e-3 + cutback_factor = 0.4 + growth_factor = 1.2 + optimal_iterations = 20 + [../] +[] + +[Preconditioning] + [./SMP] + type = SMP + full = true + [../] +[] + +[Postprocessors] + [tot_fissions] + type = ElmIntegTotFissPostprocessor + execute_on = linear + [] + [powernorm] + type = ElmIntegTotFissHeatPostprocessor + execute_on = linear + [] + [pre1_integral] + type = ElementIntegralVariablePostprocessor + variable = pre1 + execute_on = linear + block = '0' + [] + [./group1_current] + type = IntegralNewVariablePostprocessor + variable = group1 + outputs = 'console exodus' + [../] + [./group1_old] + type = IntegralOldVariablePostprocessor + variable = group1 + outputs = 'console exodus' + [../] + [./multiplication] + type = DivisionPostprocessor + value1 = group1_current + value2 = group1_old + outputs = 'console exodus' + [../] + [./temp_fuel] + type = ElementAverageValue + variable = temp + block = '0' + outputs = 'exodus console' + [../] + [./coreEndTemp] + type = SideAverageValue + variable = temp + boundary = 'fuel_top' + outputs = 'exodus console' + [../] + # MULTIAPP + [./inlet_mean_temp] + type = Receiver + initialize_old = true + execute_on = 'timestep_begin' + [../] +[] + +[Outputs] + #perf_graph = true + #print_linear_residuals = true + [./exodus] + type = Exodus + file_base = 'auto_diff_rho' + execute_on = 'timestep_end' + [../] +[] + +#[Debug] +# show_var_residual_norms = true +#[] + +[MultiApps] + [./loopApp] + type = TransientMultiApp + app_type = MoltresApp + execute_on = timestep_begin + positions = '100.0 100.0 0.0' + input_files = 'sub.i' + [../] +[] + +[Transfers] + [./from_loop] + type = MultiAppPostprocessorTransfer + multi_app = loopApp + from_postprocessor = loopEndTemp + to_postprocessor = inlet_mean_temp + direction = from_multiapp + reduction_type = maximum + [../] + [./to_loop] + type = MultiAppPostprocessorTransfer + multi_app = loopApp + from_postprocessor = coreEndTemp + to_postprocessor = coreEndTemp + direction = to_multiapp + [../] +[] \ No newline at end of file diff --git a/examples/MSRE_moltres/work_in_progress/sub.i b/examples/MSRE_moltres/work_in_progress/sub.i new file mode 100644 index 00000000..7ed9c8e5 --- /dev/null +++ b/examples/MSRE_moltres/work_in_progress/sub.i @@ -0,0 +1,215 @@ +flow_velocity=21.7 # cm/s. See MSRE-properties.ods + +[GlobalParams] + num_groups = 2 + num_precursor_groups = 6 + group_fluxes = 'group1 group2' + temperature = temp + sss2_input = false + # pre_concs = 'pre1 pre2 pre3 pre4 pre5 pre6' + # account_delayed = true + base_file = 'xsdata_mod.json' +[] + +[Mesh] + type = GeneratedMesh + dim = 1 + nx = 600 + xmax = 500 + elem_type = EDGE2 +[../] + +[Variables] + [temp] + initial_condition = 930 + scaling = 1e-4 + family = MONOMIAL + order = CONSTANT + [] +[] + + +[AuxVariables] + [./group1] + order = FIRST + family = LAGRANGE + initial_condition = 0 + [../] + [./group2] + order = FIRST + family = LAGRANGE + initial_condition = 0 + [../] +[] + +[Precursors] + [./core] + var_name_base = pre + outlet_boundaries = 'right' + u_def = ${flow_velocity} + v_def = 0 + w_def = 0 + nt_exp_form = false + family = MONOMIAL + order = CONSTANT + loop_precursors = true + multi_app = loopApp + is_loopapp = true + inlet_boundaries = left + [../] +[] + +[Kernels] + # Temperature + [./temp_time_derivative] + type = MatINSTemperatureTimeDerivative + variable = temp + [../] + # [./temp_source_fuel] + # type = TransientFissionHeatSource + # variable = temp + # nt_scale=${nt_scale} + # [../] + # [./temp_source_mod] + # type = GammaHeatSource + # variable = temp + # gamma = .0144 # Cammi .0144 + # block = 'moder' + # average_fission_heat = 'average_fission_heat' + # [../] + # [./temp_diffusion] + # type = MatDiffusion + # diffusivity = 'k' + # variable = temp + # [../] + # [./temp_advection_fuel] + # type = ConservativeTemperatureAdvection + # velocity = '${flow_velocity} 0 0' + # variable = temp + # [../] +[] + +[DGKernels] + [./temp_adv] + type = DGTemperatureAdvection + variable = temp + velocity = '${flow_velocity} 0 0' + [../] +[] + + +[DiracKernels] + [./heat_exchanger] + type = DiracHX + variable = temp + power = 5e2 # see controls 4e3 + point = '250 0 0' + [../] +[] + + +[BCs] + [./fuel_bottoms_looped] + boundary = 'left' + type = PostprocessorTemperatureInflowBC + postprocessor = coreEndTemp + variable = temp + uu = ${flow_velocity} + [../] + # [./diri] + # boundary = 'left' + # type = DirichletBC + # variable = temp + # value = 930 + # [../] + [./temp_advection_outlet] + boundary = 'right' + type = TemperatureOutflowBC + variable = temp + velocity = '${flow_velocity} 0 0' + [../] +[] + + +[Materials] + [./fuel] + type = MoltresJsonMaterial + interp_type = LINEAR + block = '0' + material_key = 'fuel' + prop_names = 'k cp' + prop_values = '.0553 1967' # Robertson MSRE technical report @ 922 K + [../] + [./rho_fuel] + type = DerivativeParsedMaterial + f_name = rho + function = '2.146e-3 * exp(-1.8 * 1.18e-4 * (temp - 922))' + coupled_variables = 'temp' + derivative_order = 1 + block = '0' + [../] +[] + + + + +[Executioner] + type = Transient + end_time = 10000 + + nl_rel_tol = 1e-6 + nl_abs_tol = 1e-6 + + solve_type = 'PJFNK' + petsc_options = '-snes_converged_reason -ksp_converged_reason -snes_linesearch_monitor' + petsc_options_iname = '-pc_type' + petsc_options_value = 'lu' + line_search = 'none' + + nl_max_its = 30 + l_max_its = 100 + + dtmin = 1e-5 + # dtmax = 1 + # dt = 1e-3 + [./TimeStepper] + type = IterationAdaptiveDT + dt = 1e-3 + cutback_factor = 0.4 + growth_factor = 1.2 + optimal_iterations = 20 + [../] +[] + +[Preconditioning] + [./SMP] + type = SMP + full = true + [../] +[] + +[Postprocessors] + [./temp_fuel] + type = ElementAverageValue + variable = temp + outputs = 'exodus console' + [../] + [./loopEndTemp] + type = SideAverageValue + variable = temp + boundary = 'right' + [../] + [./coreEndTemp] + type = Receiver + [../] +[] + +[Outputs] + #perf_graph = true + #print_linear_residuals = true + [./exodus] + type = Exodus + file_base = 'sub' + execute_on = 'timestep_begin' + [../] +[] diff --git a/examples/MSRE_moltres/work_in_progress/xsdata.json b/examples/MSRE_moltres/work_in_progress/xsdata.json new file mode 100644 index 00000000..79a40f30 --- /dev/null +++ b/examples/MSRE_moltres/work_in_progress/xsdata.json @@ -0,0 +1,254 @@ +{ + "fuel": { + "1200": { + "BETA_EFF": [ + 0.0002277457985755817, + 0.001175953936287144, + 0.001122899686947293, + 0.0025185457823096763, + 0.0010335262005859403, + 0.000432906891914749 + ], + "CHI_D": [ + 1.0, + 0.0 + ], + "CHI_P": [ + 1.000000000000002, + 0.0 + ], + "CHI_T": [ + 1.000000000000002, + 0.0 + ], + "DECAY_CONSTANT": [ + 0.013336173738466496, + 0.03273766318534082, + 0.12078297428985452, + 0.3028119739528521, + 0.8496285271699455, + 2.853461589180639 + ], + "DIFFCOEF": [ + 1.2373577015652222, + 1.209254649126858 + ], + "FISSE": [ + 193.42838568727154, + 193.40539888327484 + ], + "FISSXS": [ + 0.0011336859306396857, + 0.015903113816825003 + ], + "GTRANSFXS": [ + 0.28232658460727145, + 0.0023315741959214153, + 0.0008067853992223988, + 0.26489528474094126 + ], + "NSF": [ + 0.002765832066202944, + 0.038751115727496586 + ], + "RECIPVEL": [ + 8.835315199414271e-08, + 1.7815658522622594e-06 + 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0.0042306445561037034, + 0.0009837700248775591 + ] + }, + "temp": [ + 900, + 1200 + ] + } +} \ No newline at end of file diff --git a/examples/MSRE_moltres/work_in_progress/xsdata_noDNP.json b/examples/MSRE_moltres/work_in_progress/xsdata_noDNP.json new file mode 100644 index 00000000..c6dc45d3 --- /dev/null +++ b/examples/MSRE_moltres/work_in_progress/xsdata_noDNP.json @@ -0,0 +1,244 @@ +{ + "fuel": { + "1200": { + "BETA_EFF": [ + 0,0,0,0,0,0 + ], + "CHI_D": [ + 1.0, + 0.0 + ], + "CHI_P": [ + 1.000000000000002, + 0.0 + ], + "CHI_T": [ + 1.000000000000002, + 0.0 + ], + "DECAY_CONSTANT": [ + 0.013336173738466496, + 0.03273766318534082, + 0.12078297428985452, + 0.3028119739528521, + 0.8496285271699455, + 2.853461589180639 + ], + "DIFFCOEF": [ + 1.2373577015652222, + 1.209254649126858 + ], + "FISSE": [ + 193.42838568727154, + 193.40539888327484 + ], + "FISSXS": [ + 0.0011336859306396857, + 0.015903113816825003 + ], + "GTRANSFXS": [ + 0.28232658460727145, + 0.0023315741959214153, + 0.0008067853992223988, + 0.26489528474094126 + ], + "NSF": [ + 0.002765832066202944, + 0.038751115727496586 + ], + "RECIPVEL": [ + 8.835315199414271e-08, + 1.7815658522622594e-06 + ], + "REMXS": [ + 0.006249461369997742, + 0.02097858754400914 + ] + }, + "900": { + "BETA_EFF": [ + 0,0,0,0,0,0 + ], + "CHI_D": [ + 1.0, + 0.0 + ], + "CHI_P": [ + 1.0000000000000024, + 0.0 + ], + "CHI_T": [ + 1.0000000000000022, + 0.0 + ], + "DECAY_CONSTANT": [ + 0.01333617987864215, + 0.03273761603829335, + 0.12078307902431046, + 0.3028131001377893, + 0.8496334014889568, + 2.8534778342055067 + ], + "DIFFCOEF": [ + 1.1627818933613308, + 1.1278195077234483 + ], + "FISSE": [ + 193.42849450302552, + 193.4053988478859 + ], + "FISSXS": [ + 0.001199911896890515, + 0.01882352584300716 + ], + "GTRANSFXS": [ + 0.30086849301151936, + 0.002276926569587877, + 0.0005664067999404495, + 0.2817132268671983 + ], + "NSF": [ + 0.0029274165561535307, + 0.04586728338630509 + ], + "RECIPVEL": [ + 8.683303370845724e-08, + 1.959654853362906e-06 + ], + "REMXS": [ + 0.006341844392102427, + 0.024374437086619367 + ] + }, + "temp": [ + 900, + 1200 + ] + }, + "graphite": { + "1200": { + "BETA_EFF": [ + 0.0, + 0.0, + 0.0, + 0.0, + 0.0, + 0.0 + ], + "CHI_D": [ + 0.0, + 0.0 + ], + "CHI_P": [ + 0.0, + 0.0 + ], + "CHI_T": [ + 0.0, + 0.0 + ], + "DECAY_CONSTANT": [ + 0.0, + 0.0, + 0.0, + 0.0, + 0.0, + 0.0 + ], + "DIFFCOEF": [ + 0.8919731960038182, + 0.7661053068301372 + ], + "FISSE": [ + 0.0, + 0.0 + ], + "FISSXS": [ + 0.0, + 0.0 + ], + "GTRANSFXS": [ + 0.395683317823888, + 0.004554671253125907, + 0.0013296487931512056, + 0.4493198271747635 + ], + "NSF": [ + 0.0, + 0.0 + ], + "RECIPVEL": [ + 9.07328074109551e-08, + 1.7949388813637412e-06 + ], + "REMXS": [ + 0.0045677578726348155, + 0.001471147927082403 + ] + }, + "900": { + "BETA_EFF": [ + 0.0, + 0.0, + 0.0, + 0.0, + 0.0, + 0.0 + ], + "CHI_D": [ + 0.0, + 0.0 + ], + "CHI_P": [ + 0.0, + 0.0 + ], + "CHI_T": [ + 0.0, + 0.0 + ], + "DECAY_CONSTANT": [ + 0.0, + 0.0, + 0.0, + 0.0, + 0.0, + 0.0 + ], + "DIFFCOEF": [ + 0.8869600591072024, + 0.7613360009743724 + ], + "FISSE": [ + 0.0, + 0.0 + ], + "FISSXS": [ + 0.0, + 0.0 + ], + "GTRANSFXS": [ + 0.3983062941158192, + 0.004217636182651994, + 0.0008270293820712829, + 0.45098273321628635 + ], + "NSF": [ + 0.0, + 0.0 + ], + "RECIPVEL": [ + 8.920874121462355e-08, + 1.977592154310938e-06 + ], + "REMXS": [ + 0.0042306445561037034, + 0.0009837700248775591 + ] + }, + "temp": [ + 900, + 1200 + ] + } +} \ No newline at end of file From b8acb7cdf23f43e69259df0c42389923eedff307 Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Wed, 13 May 2026 10:44:44 -0500 Subject: [PATCH 241/259] Clean up eigen eval --- .../work_in_progress/eigen_eval.i | 47 +++++++++---------- 1 file changed, 21 insertions(+), 26 deletions(-) diff --git a/examples/MSRE_moltres/work_in_progress/eigen_eval.i b/examples/MSRE_moltres/work_in_progress/eigen_eval.i index 31cb7d4f..76af2d9d 100644 --- a/examples/MSRE_moltres/work_in_progress/eigen_eval.i +++ b/examples/MSRE_moltres/work_in_progress/eigen_eval.i @@ -7,6 +7,7 @@ sss2_input = false pre_concs = 'pre1 pre2 pre3 pre4 pre5 pre6' account_delayed = true + base_file = 'xsdata.json' [] [Problem] @@ -28,42 +29,42 @@ order = CONSTANT initial_from_file_var = pre1 initial_from_file_timestep = LATEST - block = 'fuel' + block = '0' [] [pre2] family = MONOMIAL order = CONSTANT initial_from_file_var = pre2 initial_from_file_timestep = LATEST - block = 'fuel' + block = '0' [] [pre3] family = MONOMIAL order = CONSTANT initial_from_file_var = pre3 initial_from_file_timestep = LATEST - block = 'fuel' + block = '0' [] [pre4] family = MONOMIAL order = CONSTANT initial_from_file_var = pre4 initial_from_file_timestep = LATEST - block = 'fuel' + block = '0' [] [pre5] family = MONOMIAL order = CONSTANT initial_from_file_var = pre5 initial_from_file_timestep = LATEST - block = 'fuel' + block = '0' [] [pre6] family = MONOMIAL order = CONSTANT initial_from_file_var = pre6 initial_from_file_timestep = LATEST - block = 'fuel' + block = '0' [] [] @@ -87,20 +88,19 @@ [Nt] var_name_base = group - vacuum_boundaries = 'fuel_bottoms fuel_tops moder_bottoms moder_tops outer_wall' - pre_blocks = 'fuel' + vacuum_boundaries = 'fuel_bottom fuel_top mod_bottom mod_top right' + pre_blocks = '0' create_temperature_var = false eigen = true [] - [Materials] [./fuel] - type = GenericMoltresMaterial - property_tables_root = '../../../property_file_dir/newt_msre_fuel_' - interp_type = 'spline' - block = 'fuel' + type = MoltresJsonMaterial + interp_type = LINEAR + block = '0' + material_key = 'fuel' prop_names = 'k cp' prop_values = '.0553 1967' # Robertson MSRE technical report @ 922 K [../] @@ -110,15 +110,15 @@ function = '2.146e-3 * exp(-1.8 * 1.18e-4 * (temp - 922))' coupled_variables = 'temp' derivative_order = 1 - block = 'fuel' + block = '0' [../] [./moder] - type = GenericMoltresMaterial - property_tables_root = '../../../property_file_dir/newt_msre_mod_' - interp_type = 'spline' + type = MoltresJsonMaterial + interp_type = LINEAR + material_key = 'graphite' prop_names = 'k cp' prop_values = '.312 1760' # Cammi 2011 at 908 K - block = 'moder' + block = '1' [../] [./rho_moder] type = DerivativeParsedMaterial @@ -126,7 +126,7 @@ function = '1.86e-3 * exp(-1.8 * 1.0e-5 * (temp - 922))' coupled_variables = 'temp' derivative_order = 1 - block = 'moder' + block = '1' [../] [] @@ -154,7 +154,7 @@ type = ElementIntegralVariablePostprocessor variable = pre1 execute_on = linear - block = 'fuel' + block = '0' [] [k_eff] type = VectorPostprocessorComponent @@ -164,7 +164,7 @@ [] [bnorm] type = ElmIntegTotFissNtsPostprocessor - block = 'fuel' + block = '0' execute_on = linear [] [tot_fissions] @@ -243,12 +243,7 @@ [] [Outputs] - perf_graph = true - print_linear_residuals = true [exodus] type = Exodus [] - [csv] - type = CSV - [] [] \ No newline at end of file From 30e348f107fb05ed9c5fcffce10f89b4cf43c422 Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Wed, 13 May 2026 10:45:08 -0500 Subject: [PATCH 242/259] Clean up precursor and sub --- examples/MSRE_moltres/work_in_progress/precursor_dist_calc.i | 4 ++-- examples/MSRE_moltres/work_in_progress/sub.i | 5 +++-- 2 files changed, 5 insertions(+), 4 deletions(-) diff --git a/examples/MSRE_moltres/work_in_progress/precursor_dist_calc.i b/examples/MSRE_moltres/work_in_progress/precursor_dist_calc.i index 2553dbd3..dbb1c419 100644 --- a/examples/MSRE_moltres/work_in_progress/precursor_dist_calc.i +++ b/examples/MSRE_moltres/work_in_progress/precursor_dist_calc.i @@ -11,7 +11,7 @@ ini_temp=922 sss2_input = false pre_concs = 'pre1 pre2 pre3 pre4 pre5 pre6' account_delayed = true - base_file = 'xsdata_mod.json' + base_file = 'xsdata.json' [] [Mesh] @@ -228,7 +228,7 @@ ini_temp=922 #print_linear_residuals = true [./exodus] type = Exodus - file_base = 'auto_diff_rho' + file_base = 'precursor_dist_calc' execute_on = 'timestep_end' [../] [] diff --git a/examples/MSRE_moltres/work_in_progress/sub.i b/examples/MSRE_moltres/work_in_progress/sub.i index 7ed9c8e5..ced77a53 100644 --- a/examples/MSRE_moltres/work_in_progress/sub.i +++ b/examples/MSRE_moltres/work_in_progress/sub.i @@ -1,4 +1,5 @@ flow_velocity=21.7 # cm/s. See MSRE-properties.ods +ini_temp=922 [GlobalParams] num_groups = 2 @@ -8,7 +9,7 @@ flow_velocity=21.7 # cm/s. See MSRE-properties.ods sss2_input = false # pre_concs = 'pre1 pre2 pre3 pre4 pre5 pre6' # account_delayed = true - base_file = 'xsdata_mod.json' + base_file = 'xsdata.json' [] [Mesh] @@ -21,7 +22,7 @@ flow_velocity=21.7 # cm/s. See MSRE-properties.ods [Variables] [temp] - initial_condition = 930 + initial_condition = ${ini_temp} scaling = 1e-4 family = MONOMIAL order = CONSTANT From b44d4f51f3bbeeda6680dcc1c1035988e48d6b2e Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Wed, 13 May 2026 11:19:59 -0500 Subject: [PATCH 243/259] Add NEWT data from LOSCA approach --- .../NEWT_APPROACH/eigen_eval.i | 246 ++++++++++++++++ .../work_in_progress/NEWT_APPROACH/mesh.e | Bin 0 -> 96556 bytes .../NEWT_APPROACH/newt_msre_fuel_BETA_EFF.txt | 3 + .../NEWT_APPROACH/newt_msre_fuel_CHI.txt | 3 + .../newt_msre_fuel_DECAY_CONSTANT.txt | 3 + .../NEWT_APPROACH/newt_msre_fuel_DIFFCOEF.txt | 3 + .../NEWT_APPROACH/newt_msre_fuel_FISSE.txt | 3 + .../NEWT_APPROACH/newt_msre_fuel_FISSXS.txt | 3 + .../NEWT_APPROACH/newt_msre_fuel_FLUX.txt | 3 + .../newt_msre_fuel_GTRANSFXS.txt | 3 + .../NEWT_APPROACH/newt_msre_fuel_NSF.txt | 3 + .../NEWT_APPROACH/newt_msre_fuel_NUBAR.txt | 3 + .../NEWT_APPROACH/newt_msre_fuel_RECIPVEL.txt | 3 + .../NEWT_APPROACH/newt_msre_fuel_REMXS.txt | 3 + .../NEWT_APPROACH/newt_msre_mod_BETA_EFF.txt | 3 + .../NEWT_APPROACH/newt_msre_mod_CHI.txt | 3 + .../newt_msre_mod_DECAY_CONSTANT.txt | 3 + .../NEWT_APPROACH/newt_msre_mod_DIFFCOEF.txt | 3 + .../NEWT_APPROACH/newt_msre_mod_FISSE.txt | 3 + .../NEWT_APPROACH/newt_msre_mod_FISSXS.txt | 3 + .../NEWT_APPROACH/newt_msre_mod_FLUX.txt | 3 + .../NEWT_APPROACH/newt_msre_mod_GTRANSFXS.txt | 3 + .../NEWT_APPROACH/newt_msre_mod_NSF.txt | 3 + .../NEWT_APPROACH/newt_msre_mod_NUBAR.txt | 3 + .../NEWT_APPROACH/newt_msre_mod_RECIPVEL.txt | 3 + .../NEWT_APPROACH/newt_msre_mod_REMXS.txt | 3 + .../NEWT_APPROACH/precursor_dist_calc.i | 267 ++++++++++++++++++ .../work_in_progress/NEWT_APPROACH/sub.i | 215 ++++++++++++++ 28 files changed, 800 insertions(+) create mode 100644 examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/eigen_eval.i create mode 100644 examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/mesh.e create mode 100644 examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_fuel_BETA_EFF.txt create mode 100644 examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_fuel_CHI.txt create mode 100644 examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_fuel_DECAY_CONSTANT.txt create mode 100644 examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_fuel_DIFFCOEF.txt create mode 100644 examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_fuel_FISSE.txt create mode 100644 examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_fuel_FISSXS.txt create mode 100644 examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_fuel_FLUX.txt create mode 100644 examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_fuel_GTRANSFXS.txt create mode 100644 examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_fuel_NSF.txt create mode 100644 examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_fuel_NUBAR.txt create mode 100644 examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_fuel_RECIPVEL.txt create mode 100644 examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_fuel_REMXS.txt create mode 100644 examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_mod_BETA_EFF.txt create mode 100644 examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_mod_CHI.txt create mode 100644 examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_mod_DECAY_CONSTANT.txt create mode 100644 examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_mod_DIFFCOEF.txt create mode 100644 examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_mod_FISSE.txt create mode 100644 examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_mod_FISSXS.txt create mode 100644 examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_mod_FLUX.txt create mode 100644 examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_mod_GTRANSFXS.txt create mode 100644 examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_mod_NSF.txt create mode 100644 examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_mod_NUBAR.txt create mode 100644 examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_mod_RECIPVEL.txt create mode 100644 examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_mod_REMXS.txt create mode 100644 examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/precursor_dist_calc.i create mode 100644 examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/sub.i diff --git a/examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/eigen_eval.i b/examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/eigen_eval.i new file mode 100644 index 00000000..779dc577 --- /dev/null +++ b/examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/eigen_eval.i @@ -0,0 +1,246 @@ +[GlobalParams] + num_groups = 2 + num_precursor_groups = 6 + use_exp_form = false + group_fluxes = 'group1 group2' + temperature = temp + sss2_input = false + pre_concs = 'pre1 pre2 pre3 pre4 pre5 pre6' + account_delayed = false +[] + +[Problem] + allow_initial_conditions_with_restart = true +[] + +[Mesh] + file = './precursor_dist_calc.e' +[../] + +[AuxVariables] + [./temp] + scaling = 1e-4 + initial_from_file_var = temp + initial_from_file_timestep = LATEST + [../] + [pre1] + family = MONOMIAL + order = CONSTANT + initial_from_file_var = pre1 + initial_from_file_timestep = LATEST + block = '0' + [] + [pre2] + family = MONOMIAL + order = CONSTANT + initial_from_file_var = pre2 + initial_from_file_timestep = LATEST + block = '0' + [] + [pre3] + family = MONOMIAL + order = CONSTANT + initial_from_file_var = pre3 + initial_from_file_timestep = LATEST + block = '0' + [] + [pre4] + family = MONOMIAL + order = CONSTANT + initial_from_file_var = pre4 + initial_from_file_timestep = LATEST + block = '0' + [] + [pre5] + family = MONOMIAL + order = CONSTANT + initial_from_file_var = pre5 + initial_from_file_timestep = LATEST + block = '0' + [] + [pre6] + family = MONOMIAL + order = CONSTANT + initial_from_file_var = pre6 + initial_from_file_timestep = LATEST + block = '0' + [] +[] + +[Variables] + [./group1] + order = FIRST + family = LAGRANGE + initial_from_file_var = group1 + initial_from_file_timestep = LATEST + scaling = 1e4 + [../] + [./group2] + order = FIRST + family = LAGRANGE + scaling = 1e4 + initial_from_file_var = group2 + initial_from_file_timestep = LATEST + [../] +[] + + +[Nt] + var_name_base = group + vacuum_boundaries = 'fuel_bottom fuel_top mod_bottom mod_top right' + pre_blocks = '0' + create_temperature_var = false + eigen = true +[] + +[Materials] + [./fuel] + type = GenericMoltresMaterial + property_tables_root = './newt_msre_fuel_' + interp_type = 'spline' + block = '0' + prop_names = 'k cp' + prop_values = '.0553 1967' # Robertson MSRE technical report @ 922 K + [../] + [./rho_fuel] + type = DerivativeParsedMaterial + f_name = rho + function = '2.146e-3 * exp(-1.8 * 1.18e-4 * (temp - 922))' + coupled_variables = 'temp' + derivative_order = 1 + block = '0' + [../] + [./moder] + type = GenericMoltresMaterial + property_tables_root = './newt_msre_mod_' + interp_type = 'spline' + prop_names = 'k cp' + prop_values = '.312 1760' # Cammi 2011 at 908 K + block = '1' + [../] + [./rho_moder] + type = DerivativeParsedMaterial + f_name = rho + function = '1.86e-3 * exp(-1.8 * 1.0e-5 * (temp - 922))' + coupled_variables = 'temp' + derivative_order = 1 + block = '1' + [../] +[] + +[Executioner] + type = Eigenvalue + initial_eigenvalue = 1 + solve_type = 'PJFNK' + petsc_options = '-snes_converged_reason -ksp_converged_reason -snes_linesearch_monitor' + petsc_options_iname = '-pc_type -pc_hypre_type' + petsc_options_value = 'hypre boomeramg' + + automatic_scaling = true + compute_scaling_once = false + resid_vs_jac_scaling_param = 0.1 + + line_search = none +[] + + + + +[Postprocessors] + [pre1_integral] + type = ElementIntegralVariablePostprocessor + variable = pre1 + execute_on = linear + block = '0' + [] + [k_eff] + type = VectorPostprocessorComponent + index = 0 + vectorpostprocessor = k_vpp + vector_name = eigen_values_real + [] + [bnorm] + type = ElmIntegTotFissNtsPostprocessor + block = '0' + execute_on = linear + [] + [tot_fissions] + type = ElmIntegTotFissPostprocessor + execute_on = linear + [] + [powernorm] + type = ElmIntegTotFissHeatPostprocessor + execute_on = linear + [] + [group1norm] + type = ElementIntegralVariablePostprocessor + variable = group1 + execute_on = linear + [] + [group1max] + type = NodalExtremeValue + value_type = max + variable = group1 + execute_on = timestep_end + [] + [group1diff] + type = ElementL2Diff + variable = group1 + execute_on = 'linear timestep_end' + use_displaced_mesh = false + [] + [group2norm] + type = ElementIntegralVariablePostprocessor + variable = group2 + execute_on = linear + [] + [group2max] + type = NodalExtremeValue + value_type = max + variable = group2 + execute_on = timestep_end + [] + [group2diff] + type = ElementL2Diff + variable = group2 + execute_on = 'linear timestep_end' + use_displaced_mesh = false + [] + # MULTIAPP + [./inlet_mean_temp] + type = Receiver + initialize_old = true + execute_on = 'timestep_begin' + [../] +[] + +[VectorPostprocessors] + [k_vpp] + type = Eigenvalues + inverse_eigenvalue = false + [] + [centerline_flux] + type = LineValueSampler + variable = 'group1 group2' + start_point = '0 0 0' + end_point = '0 150 0' + num_points = 151 + sort_by = y + execute_on = FINAL + [] + [midplane_flux] + type = LineValueSampler + variable = 'group1 group2' + start_point = '0 75 0' + end_point = '69.375 75 0' + num_points = 100 + sort_by = x + execute_on = FINAL + [] +[] + +[Outputs] + [exodus] + type = Exodus + [] +[] \ No newline at end of file diff --git a/examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/mesh.e b/examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/mesh.e new file mode 100644 index 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+972 2.37210E-04 1.54495E-03 1.38131E-03 2.80634E-03 8.26142E-04 2.85674E-04 +1022 2.37036E-04 1.54397E-03 1.38044E-03 2.80445E-03 8.25534E-04 2.85552E-04 diff --git a/examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_fuel_CHI.txt b/examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_fuel_CHI.txt new file mode 100644 index 00000000..990984ae --- /dev/null +++ b/examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_fuel_CHI.txt @@ -0,0 +1,3 @@ +922 1.00000E+00 0.00000E+00 +972 1.00000E+00 0.00000E+00 +1022 1.00000E+00 0.00000E+00 diff --git a/examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_fuel_DECAY_CONSTANT.txt b/examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_fuel_DECAY_CONSTANT.txt new file mode 100644 index 00000000..3359eff0 --- /dev/null +++ b/examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_fuel_DECAY_CONSTANT.txt @@ -0,0 +1,3 @@ +922 1.24378E-02 3.06300E-02 1.11474E-01 3.02248E-01 1.17229E+00 3.07474E+00 +972 1.24376E-02 3.06293E-02 1.11471E-01 3.02241E-01 1.17212E+00 3.07438E+00 +1022 1.24374E-02 3.06286E-02 1.11468E-01 3.02234E-01 1.17194E+00 3.07400E+00 diff --git a/examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_fuel_DIFFCOEF.txt b/examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_fuel_DIFFCOEF.txt new file mode 100644 index 00000000..24cca3c3 --- /dev/null +++ b/examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_fuel_DIFFCOEF.txt @@ -0,0 +1,3 @@ +922 1.42796148502 1.26251148885 +972 1.44313263688 1.2777364643 +1022 1.45794060058 1.29262094408 diff --git a/examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_fuel_FISSE.txt b/examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_fuel_FISSE.txt new file mode 100644 index 00000000..869c41fa --- /dev/null +++ b/examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_fuel_FISSE.txt @@ -0,0 +1,3 @@ +922 194.31036598 194.286017874 +972 194.309021483 194.28532525 +1022 194.309660985 194.284939421 diff --git a/examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_fuel_FISSXS.txt b/examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_fuel_FISSXS.txt new file mode 100644 index 00000000..ad47c064 --- /dev/null +++ b/examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_fuel_FISSXS.txt @@ -0,0 +1,3 @@ +922 0.00130417 0.0217635 +972 0.00129635 0.0211145 +1022 0.00128962 0.0205105 diff --git a/examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_fuel_FLUX.txt b/examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_fuel_FLUX.txt new file mode 100644 index 00000000..bbffcde0 --- /dev/null +++ b/examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_fuel_FLUX.txt @@ -0,0 +1,3 @@ +922 10.8347 3.91974 +972 10.9083 4.04271 +1022 10.9795 4.16447 diff --git a/examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_fuel_GTRANSFXS.txt b/examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_fuel_GTRANSFXS.txt new file mode 100644 index 00000000..97e504d5 --- /dev/null +++ b/examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_fuel_GTRANSFXS.txt @@ -0,0 +1,3 @@ +922 0.266445 0.0015943 0.00202371 0.249011 +972 0.26352 0.00178607 0.00209278 0.246277 +1022 0.260705 0.00199628 0.00217227 0.243624 diff --git a/examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_fuel_NSF.txt b/examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_fuel_NSF.txt new file mode 100644 index 00000000..5bba0a18 --- /dev/null +++ b/examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_fuel_NSF.txt @@ -0,0 +1,3 @@ +922 0.00318268 0.0530312 +972 0.00316355 0.0514497 +1022 0.0031471 0.0499778 diff --git a/examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_fuel_NUBAR.txt b/examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_fuel_NUBAR.txt new file mode 100644 index 00000000..7eecbe3b --- /dev/null +++ b/examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_fuel_NUBAR.txt @@ -0,0 +1,3 @@ +922 2.44038737281 2.4367036552 +972 2.44035175686 2.43669989817 +1022 2.44033126037 2.43669340094 diff --git a/examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_fuel_RECIPVEL.txt b/examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_fuel_RECIPVEL.txt new file mode 100644 index 00000000..d3d2cd04 --- /dev/null +++ b/examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_fuel_RECIPVEL.txt @@ -0,0 +1,3 @@ +922 9.68949E-08 2.05657E-06 +972 9.79604E-08 2.01960E-06 +1022 9.91412E-08 1.98497E-06 diff --git a/examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_fuel_REMXS.txt b/examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_fuel_REMXS.txt new file mode 100644 index 00000000..6caa9eae --- /dev/null +++ b/examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_fuel_REMXS.txt @@ -0,0 +1,3 @@ +922 0.00572091 0.0286412 +972 0.00577444 0.02804167 +1022 0.0058392 0.02751448 diff --git a/examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_mod_BETA_EFF.txt b/examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_mod_BETA_EFF.txt new file mode 100644 index 00000000..62a93fbb --- /dev/null +++ b/examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_mod_BETA_EFF.txt @@ -0,0 +1,3 @@ +922 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 +972 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 +1022 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 diff --git a/examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_mod_CHI.txt b/examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_mod_CHI.txt new file mode 100644 index 00000000..84f72343 --- /dev/null +++ b/examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_mod_CHI.txt @@ -0,0 +1,3 @@ +922 0.00000E+00 0.00000E+00 +972 0.00000E+00 0.00000E+00 +1022 0.00000E+00 0.00000E+00 diff --git a/examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_mod_DECAY_CONSTANT.txt b/examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_mod_DECAY_CONSTANT.txt new file mode 100644 index 00000000..62a93fbb --- /dev/null +++ b/examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_mod_DECAY_CONSTANT.txt @@ -0,0 +1,3 @@ +922 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 +972 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 +1022 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 diff --git a/examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_mod_DIFFCOEF.txt b/examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_mod_DIFFCOEF.txt new file mode 100644 index 00000000..ad189cd5 --- /dev/null +++ b/examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_mod_DIFFCOEF.txt @@ -0,0 +1,3 @@ +922 0.985027580772 0.769666518891 +972 0.985732507684 0.770022115035 +1022 0.985875363665 0.770014999892 diff --git a/examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_mod_FISSE.txt b/examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_mod_FISSE.txt new file mode 100644 index 00000000..4e135f75 --- /dev/null +++ b/examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_mod_FISSE.txt @@ -0,0 +1,3 @@ +922 0.0 0.0 +972 0.0 0.0 +1022 0.0 0.0 diff --git a/examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_mod_FISSXS.txt b/examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_mod_FISSXS.txt new file mode 100644 index 00000000..4e135f75 --- /dev/null +++ b/examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_mod_FISSXS.txt @@ -0,0 +1,3 @@ +922 0.0 0.0 +972 0.0 0.0 +1022 0.0 0.0 diff --git a/examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_mod_FLUX.txt b/examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_mod_FLUX.txt new file mode 100644 index 00000000..8a6c51fe --- /dev/null +++ b/examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_mod_FLUX.txt @@ -0,0 +1,3 @@ +922 10.6369 4.0659 +972 10.7102 4.18902 +1022 10.781 4.31096 diff --git a/examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_mod_GTRANSFXS.txt b/examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_mod_GTRANSFXS.txt new file mode 100644 index 00000000..66864c9a --- /dev/null +++ b/examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_mod_GTRANSFXS.txt @@ -0,0 +1,3 @@ +922 0.393826 0.00296472 0.00424578 0.45548 +972 0.393324 0.0033761 0.00442734 0.454857 +1022 0.393018 0.00383269 0.0046346 0.454403 diff --git a/examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_mod_NSF.txt b/examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_mod_NSF.txt new file mode 100644 index 00000000..4e135f75 --- /dev/null +++ b/examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_mod_NSF.txt @@ -0,0 +1,3 @@ +922 0.0 0.0 +972 0.0 0.0 +1022 0.0 0.0 diff --git a/examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_mod_NUBAR.txt b/examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_mod_NUBAR.txt new file mode 100644 index 00000000..4e135f75 --- /dev/null +++ b/examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_mod_NUBAR.txt @@ -0,0 +1,3 @@ +922 0.0 0.0 +972 0.0 0.0 +1022 0.0 0.0 diff --git a/examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_mod_RECIPVEL.txt b/examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_mod_RECIPVEL.txt new file mode 100644 index 00000000..79f75f24 --- /dev/null +++ b/examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_mod_RECIPVEL.txt @@ -0,0 +1,3 @@ +922 9.98046E-08 2.07824E-06 +972 1.00883E-07 2.03998E-06 +1022 1.02080E-07 2.00420E-06 diff --git a/examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_mod_REMXS.txt b/examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_mod_REMXS.txt new file mode 100644 index 00000000..e4eb1ddc --- /dev/null +++ b/examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_mod_REMXS.txt @@ -0,0 +1,3 @@ +922 0.0042598939 0.003109062 +972 0.0044414982 0.003517643 +1022 0.004648825 0.003971745 diff --git a/examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/precursor_dist_calc.i b/examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/precursor_dist_calc.i new file mode 100644 index 00000000..fe81952f --- /dev/null +++ b/examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/precursor_dist_calc.i @@ -0,0 +1,267 @@ +flow_velocity=21.7 # cm/s. See MSRE-properties.ods +nt_scale=1 +ini_temp=922 + +[GlobalParams] + num_groups = 2 + num_precursor_groups = 6 + use_exp_form = false + group_fluxes = 'group1 group2' + temperature = temp + sss2_input = false + pre_concs = 'pre1 pre2 pre3 pre4 pre5 pre6' + account_delayed = true +[] + +[Mesh] + coord_type = RZ + [mesh] + type = FileMeshGenerator + file = 'mesh.e' + [] +[] + +[Nt] + var_name_base = group + vacuum_boundaries = 'fuel_bottom fuel_top mod_bottom mod_top right' + create_temperature_var = false + pre_blocks = '0' +[] + +[Variables] + [./temp] + initial_condition = ${ini_temp} + [../] +[] + +[Precursors] + [./core] + var_name_base = pre + block = '0' + outlet_boundaries = 'fuel_top' + u_def = 0 + v_def = ${flow_velocity} + w_def = 0 + nt_exp_form = false + family = MONOMIAL + order = CONSTANT + loop_precursors = true + multi_app = loopApp + is_loopapp = false + inlet_boundaries = 'fuel_bottom' + [../] +[] + +[Kernels] + # Temperature + [./temp_time_derivative] + type = MatINSTemperatureTimeDerivative + variable = temp + [../] + [./temp_source_fuel] + type = TransientFissionHeatSource + variable = temp + nt_scale=${nt_scale} + block = '0' + [../] + [./temp_diffusion] + type = MatDiffusion + diffusivity = 'k' + variable = temp + [../] + [./temp_advection_fuel] + type = ConservativeTemperatureAdvection + velocity = '0 ${flow_velocity} 0' + variable = temp + block = '0' + [../] +[] + +[BCs] + [./fuel_bottom_looped] + boundary = 'fuel_bottom right' + type = PostprocessorDirichletBC + postprocessor = inlet_mean_temp + variable = temp + [../] + [./temp_advection_outlet] + boundary = 'fuel_top' + type = TemperatureOutflowBC + variable = temp + velocity = '0 ${flow_velocity} 0' + [../] + #[temp_inlet] + # boundary = 'fuel_bottom' + # type = DirichletBC + # variable = temp + # value = ${ini_temp} + #[] +[] + +[Materials] + [./fuel] + type = GenericMoltresMaterial + property_tables_root = './newt_msre_fuel_' + interp_type = 'spline' + block = '0' + prop_names = 'k cp' + prop_values = '.0553 1967' # Robertson MSRE technical report @ 922 K + [../] + [./rho_fuel] + type = DerivativeParsedMaterial + f_name = rho + function = '2.146e-3 * exp(-1.8 * 1.18e-4 * (temp - 922))' + coupled_variables = 'temp' + derivative_order = 1 + block = '0' + [../] + [./moder] + type = GenericMoltresMaterial + property_tables_root = './newt_msre_mod_' + interp_type = 'spline' + prop_names = 'k cp' + prop_values = '.312 1760' # Cammi 2011 at 908 K + block = '1' + [../] + [./rho_moder] + type = DerivativeParsedMaterial + f_name = rho + function = '1.86e-3 * exp(-1.8 * 1.0e-5 * (temp - 922))' + coupled_variables = 'temp' + derivative_order = 1 + block = '1' + [../] +[] + + + +[Executioner] + type = Transient + end_time = 11000 + compute_scaling_once = false + automatic_scaling = true + scaling_group_variables = 'group1 group2; pre1 pre2 pre3 pre4 pre5 pre6; temp' + + nl_rel_tol = 1e-5 + nl_abs_tol = 1e-5 + + solve_type = 'PJFNK' + petsc_options = '-snes_converged_reason -ksp_converged_reason -snes_linesearch_monitor' + petsc_options_iname = '-pc_type' + petsc_options_value = 'lu' + line_search = 'none' + + nl_max_its = 30 + l_max_its = 100 + + dtmin = 1e-5 + # dtmax = 1 + # dt = 1e-3 + [./TimeStepper] + type = IterationAdaptiveDT + dt = 1e-3 + cutback_factor = 0.4 + growth_factor = 1.2 + optimal_iterations = 20 + [../] +[] + +[Preconditioning] + [./SMP] + type = SMP + full = true + [../] +[] + +[Postprocessors] + [tot_fissions] + type = ElmIntegTotFissPostprocessor + execute_on = linear + [] + [powernorm] + type = ElmIntegTotFissHeatPostprocessor + execute_on = linear + [] + [pre1_integral] + type = ElementIntegralVariablePostprocessor + variable = pre1 + execute_on = linear + block = '0' + [] + [./group1_current] + type = IntegralNewVariablePostprocessor + variable = group1 + outputs = 'console exodus' + [../] + [./group1_old] + type = IntegralOldVariablePostprocessor + variable = group1 + outputs = 'console exodus' + [../] + [./multiplication] + type = DivisionPostprocessor + value1 = group1_current + value2 = group1_old + outputs = 'console exodus' + [../] + [./temp_fuel] + type = ElementAverageValue + variable = temp + block = '0' + outputs = 'exodus console' + [../] + [./coreEndTemp] + type = SideAverageValue + variable = temp + boundary = 'fuel_top' + outputs = 'exodus console' + [../] + # MULTIAPP + [./inlet_mean_temp] + type = Receiver + initialize_old = true + execute_on = 'timestep_begin' + [../] +[] + +[Outputs] + #perf_graph = true + #print_linear_residuals = true + [./exodus] + type = Exodus + file_base = 'precursor_dist_calc' + execute_on = 'timestep_end' + [../] +[] + +#[Debug] +# show_var_residual_norms = true +#[] + +[MultiApps] + [./loopApp] + type = TransientMultiApp + app_type = MoltresApp + execute_on = timestep_begin + positions = '100.0 100.0 0.0' + input_files = 'sub.i' + [../] +[] + +[Transfers] + [./from_loop] + type = MultiAppPostprocessorTransfer + multi_app = loopApp + from_postprocessor = loopEndTemp + to_postprocessor = inlet_mean_temp + direction = from_multiapp + reduction_type = maximum + [../] + [./to_loop] + type = MultiAppPostprocessorTransfer + multi_app = loopApp + from_postprocessor = coreEndTemp + to_postprocessor = coreEndTemp + direction = to_multiapp + [../] +[] \ No newline at end of file diff --git a/examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/sub.i b/examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/sub.i new file mode 100644 index 00000000..39ce1c6a --- /dev/null +++ b/examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/sub.i @@ -0,0 +1,215 @@ +flow_velocity=21.7 # cm/s. See MSRE-properties.ods +ini_temp=922 + +[GlobalParams] + num_groups = 2 + num_precursor_groups = 6 + group_fluxes = 'group1 group2' + temperature = temp + sss2_input = false + # pre_concs = 'pre1 pre2 pre3 pre4 pre5 pre6' + # account_delayed = true +[] + +[Mesh] + type = GeneratedMesh + dim = 1 + nx = 600 + xmax = 500 + elem_type = EDGE2 +[../] + +[Variables] + [temp] + initial_condition = ${ini_temp} + scaling = 1e-4 + family = MONOMIAL + order = CONSTANT + [] +[] + + +[AuxVariables] + [./group1] + order = FIRST + family = LAGRANGE + initial_condition = 0 + [../] + [./group2] + order = FIRST + family = LAGRANGE + initial_condition = 0 + [../] +[] + +[Precursors] + [./core] + var_name_base = pre + outlet_boundaries = 'right' + u_def = ${flow_velocity} + v_def = 0 + w_def = 0 + nt_exp_form = false + family = MONOMIAL + order = CONSTANT + loop_precursors = true + multi_app = loopApp + is_loopapp = true + inlet_boundaries = left + [../] +[] + +[Kernels] + # Temperature + [./temp_time_derivative] + type = MatINSTemperatureTimeDerivative + variable = temp + [../] + # [./temp_source_fuel] + # type = TransientFissionHeatSource + # variable = temp + # nt_scale=${nt_scale} + # [../] + # [./temp_source_mod] + # type = GammaHeatSource + # variable = temp + # gamma = .0144 # Cammi .0144 + # block = 'moder' + # average_fission_heat = 'average_fission_heat' + # [../] + # [./temp_diffusion] + # type = MatDiffusion + # diffusivity = 'k' + # variable = temp + # [../] + # [./temp_advection_fuel] + # type = ConservativeTemperatureAdvection + # velocity = '${flow_velocity} 0 0' + # variable = temp + # [../] +[] + +[DGKernels] + [./temp_adv] + type = DGTemperatureAdvection + variable = temp + velocity = '${flow_velocity} 0 0' + [../] +[] + + +[DiracKernels] + [./heat_exchanger] + type = DiracHX + variable = temp + power = 5e2 # see controls 4e3 + point = '250 0 0' + [../] +[] + + +[BCs] + [./fuel_bottoms_looped] + boundary = 'left' + type = PostprocessorTemperatureInflowBC + postprocessor = coreEndTemp + variable = temp + uu = ${flow_velocity} + [../] + # [./diri] + # boundary = 'left' + # type = DirichletBC + # variable = temp + # value = 930 + # [../] + [./temp_advection_outlet] + boundary = 'right' + type = TemperatureOutflowBC + variable = temp + velocity = '${flow_velocity} 0 0' + [../] +[] + + +[Materials] + [./fuel] + type = GenericMoltresMaterial + property_tables_root = './newt_msre_fuel_' + interp_type = 'spline' + block = '0' + prop_names = 'k cp' + prop_values = '.0553 1967' # Robertson MSRE technical report @ 922 K + [../] + [./rho_fuel] + type = DerivativeParsedMaterial + f_name = rho + function = '2.146e-3 * exp(-1.8 * 1.18e-4 * (temp - 922))' + coupled_variables = 'temp' + derivative_order = 1 + block = '0' + [../] +[] + + + + +[Executioner] + type = Transient + end_time = 10000 + + nl_rel_tol = 1e-6 + nl_abs_tol = 1e-6 + + solve_type = 'PJFNK' + petsc_options = '-snes_converged_reason -ksp_converged_reason -snes_linesearch_monitor' + petsc_options_iname = '-pc_type' + petsc_options_value = 'lu' + line_search = 'none' + + nl_max_its = 30 + l_max_its = 100 + + dtmin = 1e-5 + # dtmax = 1 + # dt = 1e-3 + [./TimeStepper] + type = IterationAdaptiveDT + dt = 1e-3 + cutback_factor = 0.4 + growth_factor = 1.2 + optimal_iterations = 20 + [../] +[] + +[Preconditioning] + [./SMP] + type = SMP + full = true + [../] +[] + +[Postprocessors] + [./temp_fuel] + type = ElementAverageValue + variable = temp + outputs = 'exodus console' + [../] + [./loopEndTemp] + type = SideAverageValue + variable = temp + boundary = 'right' + [../] + [./coreEndTemp] + type = Receiver + [../] +[] + +[Outputs] + #perf_graph = true + #print_linear_residuals = true + [./exodus] + type = Exodus + file_base = 'sub' + execute_on = 'timestep_begin' + [../] +[] From 43a8ce6b01151e76853929ee56d993d602a69db0 Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Wed, 13 May 2026 11:20:25 -0500 Subject: [PATCH 244/259] Change account delayed to true --- .../MSRE_moltres/work_in_progress/NEWT_APPROACH/eigen_eval.i | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/eigen_eval.i b/examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/eigen_eval.i index 779dc577..fb7f2f28 100644 --- a/examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/eigen_eval.i +++ b/examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/eigen_eval.i @@ -6,7 +6,7 @@ temperature = temp sss2_input = false pre_concs = 'pre1 pre2 pre3 pre4 pre5 pre6' - account_delayed = false + account_delayed = true [] [Problem] From c1029113af27e3b79e6a1b258a5ab473223a6049 Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Wed, 13 May 2026 13:38:31 -0500 Subject: [PATCH 245/259] Add publication of MSRE for new base input file to apply precursor looping --- .../2d_lattice_structured.geo | 78 + .../2d_lattice_structured.msh | 90014 ++++++++++++++++ .../publication_basis/4group_eigen.i | 83 + .../publication_basis/auto_diff_rho.i | 272 + .../msre_gentry_4g_fuel_rod0_BETA_EFF.txt | 15 + .../data/msre_gentry_4g_fuel_rod0_CHID.txt | 15 + .../data/msre_gentry_4g_fuel_rod0_CHIP.txt | 15 + .../data/msre_gentry_4g_fuel_rod0_CHIT.txt | 15 + .../msre_gentry_4g_fuel_rod0_DIFFCOEF.txt | 15 + .../data/msre_gentry_4g_fuel_rod0_FISS.txt | 15 + .../data/msre_gentry_4g_fuel_rod0_FLX.txt | 15 + .../data/msre_gentry_4g_fuel_rod0_INVV.txt | 15 + .../data/msre_gentry_4g_fuel_rod0_KAPPA.txt | 15 + .../data/msre_gentry_4g_fuel_rod0_LAMBDA.txt | 15 + .../data/msre_gentry_4g_fuel_rod0_NSF.txt | 15 + .../data/msre_gentry_4g_fuel_rod0_NUBAR.txt | 15 + .../data/msre_gentry_4g_fuel_rod0_REMXS.txt | 15 + .../data/msre_gentry_4g_fuel_rod0_SP0.txt | 15 + .../msre_gentry_4g_moder_rod0_BETA_EFF.txt | 14 + .../data/msre_gentry_4g_moder_rod0_CHID.txt | 14 + .../data/msre_gentry_4g_moder_rod0_CHIP.txt | 14 + .../data/msre_gentry_4g_moder_rod0_CHIT.txt | 14 + .../msre_gentry_4g_moder_rod0_DIFFCOEF.txt | 14 + .../data/msre_gentry_4g_moder_rod0_FISS.txt | 14 + .../data/msre_gentry_4g_moder_rod0_FLX.txt | 14 + .../data/msre_gentry_4g_moder_rod0_INVV.txt | 14 + .../data/msre_gentry_4g_moder_rod0_KAPPA.txt | 14 + .../data/msre_gentry_4g_moder_rod0_LAMBDA.txt | 14 + .../data/msre_gentry_4g_moder_rod0_NSF.txt | 14 + .../data/msre_gentry_4g_moder_rod0_NUBAR.txt | 14 + .../data/msre_gentry_4g_moder_rod0_REMXS.txt | 14 + .../data/msre_gentry_4g_moder_rod0_SP0.txt | 14 + 32 files changed, 90853 insertions(+) create mode 100644 examples/MSRE_moltres/publication_basis/2d_lattice_structured.geo create mode 100644 examples/MSRE_moltres/publication_basis/2d_lattice_structured.msh create mode 100644 examples/MSRE_moltres/publication_basis/4group_eigen.i create mode 100644 examples/MSRE_moltres/publication_basis/auto_diff_rho.i create mode 100644 examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_fuel_rod0_BETA_EFF.txt create mode 100644 examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_fuel_rod0_CHID.txt create mode 100644 examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_fuel_rod0_CHIP.txt create mode 100644 examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_fuel_rod0_CHIT.txt create mode 100644 examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_fuel_rod0_DIFFCOEF.txt create mode 100644 examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_fuel_rod0_FISS.txt create mode 100644 examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_fuel_rod0_FLX.txt create mode 100644 examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_fuel_rod0_INVV.txt create mode 100644 examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_fuel_rod0_KAPPA.txt create mode 100644 examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_fuel_rod0_LAMBDA.txt create mode 100644 examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_fuel_rod0_NSF.txt create mode 100644 examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_fuel_rod0_NUBAR.txt create mode 100644 examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_fuel_rod0_REMXS.txt create mode 100644 examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_fuel_rod0_SP0.txt create mode 100644 examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_moder_rod0_BETA_EFF.txt create mode 100644 examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_moder_rod0_CHID.txt create mode 100644 examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_moder_rod0_CHIP.txt create mode 100644 examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_moder_rod0_CHIT.txt create mode 100644 examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_moder_rod0_DIFFCOEF.txt create mode 100644 examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_moder_rod0_FISS.txt create mode 100644 examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_moder_rod0_FLX.txt create mode 100644 examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_moder_rod0_INVV.txt create mode 100644 examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_moder_rod0_KAPPA.txt create mode 100644 examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_moder_rod0_LAMBDA.txt create mode 100644 examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_moder_rod0_NSF.txt create mode 100644 examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_moder_rod0_NUBAR.txt create mode 100644 examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_moder_rod0_REMXS.txt create mode 100644 examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_moder_rod0_SP0.txt diff --git a/examples/MSRE_moltres/publication_basis/2d_lattice_structured.geo b/examples/MSRE_moltres/publication_basis/2d_lattice_structured.geo new file mode 100644 index 00000000..6a5df521 --- /dev/null +++ b/examples/MSRE_moltres/publication_basis/2d_lattice_structured.geo @@ -0,0 +1,78 @@ +Geometry.CopyMeshingMethod = 1; +R = 73; +H = 162.56; +num_segments = 14; +pitch = R / num_segments; +x = 0.2379522; +fuel_rad = x * pitch; +graph_rad = pitch; +lc = 1; +lx = .1; +ly = 2.5; + +Point(1) = {0, 0, 0, lc}; +Point(2) = {fuel_rad, 0, 0, lc}; +Point(3) = {graph_rad, 0, 0, lc}; +Point(4) = {0, H, 0, lc}; +Point(5) = {fuel_rad, H, 0, lc}; +Point(6) = {graph_rad, H, 0, lc}; +// fuel top +Line(1) = {4, 5}; +// graph top +Line(2) = {5, 6}; +// graph right edge +Line(3) = {6, 3}; +// graph bottom +Line(4) = {3, 2}; +// fuel bottom +Line(5) = {1, 2}; +// fuel-graph interface +Line(6) = {2, 5}; +// fuel left edge +Line(7) = {4, 1}; + +// Fuel +Line Loop(8) = {1, -6, -5, -7}; +Plane Surface(9) = {8}; + +// Moderator +Line Loop(10) = {2, 3, 4, 6}; +Plane Surface(11) = {10}; + +// Structured +Transfinite Line{1, 5} = fuel_rad/lx; +Transfinite Line{2, 4} = (graph_rad - fuel_rad)/lx; +Transfinite Line{3, 6, 7} = H/ly; +Transfinite Surface{9}; +Transfinite Surface{11}; +Recombine Surface{9}; +Recombine Surface{11}; + +fuel_surfaces[] = {9}; +moder_surfaces[] = {11}; +fuel_tops[] = {1}; +fuel_bottoms[] = {5}; +moder_bottoms[] = {4}; +moder_tops[] = {2}; +For xindex In {1:num_segments-1} +new_f_surface = Translate {xindex*pitch, 0, 0} { + Duplicata { Surface{9}; } +}; +fuel_surfaces += new_f_surface; +new_m_surface = Translate {xindex*pitch, 0, 0} { + Duplicata { Surface{11}; } +}; +moder_surfaces += new_m_surface; +fuel_tops += {13 + (xindex - 1) * 8}; +moder_tops += {17 + (xindex - 1) * 8}; +fuel_bottoms += {15 + (xindex - 1) * 8}; +moder_bottoms += {19 + (xindex - 1) * 8}; +EndFor // xindex + +Physical Surface("fuel") = { fuel_surfaces[] }; +Physical Surface("moder") = { moder_surfaces[] }; +Physical Line("fuel_tops") = { fuel_tops[] }; +Physical Line("moder_tops") = { moder_tops[] }; +Physical Line("fuel_bottoms") = { fuel_bottoms[] }; +Physical Line("moder_bottoms") = { moder_bottoms[] }; +Physical Line("outer_wall") = { 18 + 8 * (num_segments - 2) }; diff --git a/examples/MSRE_moltres/publication_basis/2d_lattice_structured.msh b/examples/MSRE_moltres/publication_basis/2d_lattice_structured.msh new file mode 100644 index 00000000..6359c477 --- /dev/null +++ b/examples/MSRE_moltres/publication_basis/2d_lattice_structured.msh @@ -0,0 +1,90014 @@ +$MeshFormat +2.2 0 8 +$EndMeshFormat +$PhysicalNames +7 +1 3 "fuel_tops" +1 4 "moder_tops" +1 5 "fuel_bottoms" +1 6 "moder_bottoms" +1 7 "outer_wall" +2 1 "fuel" +2 2 "moder" +$EndPhysicalNames +$Nodes +44655 +1 0 0 0 +2 1.240750757142857 0 0 +3 5.214285714285714 0 0 +4 0 162.56 0 +5 1.240750757142857 162.56 0 +6 5.214285714285714 162.56 0 +7 6.455036471428572 162.56 0 +8 6.455036471428572 0 0 +9 10.42857142857143 162.56 0 +10 10.42857142857143 0 0 +11 11.66932218571429 162.56 0 +12 11.66932218571429 0 0 +13 15.64285714285714 162.56 0 +14 15.64285714285714 0 0 +15 16.8836079 162.56 0 +16 16.8836079 0 0 +17 20.85714285714286 162.56 0 +18 20.85714285714286 0 0 +19 22.09789361428572 162.56 0 +20 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44636 +45321 3 2 2 112 44636 3145 3146 44637 +45322 3 2 2 112 44637 3146 3147 44638 +45323 3 2 2 112 44638 3147 3148 44639 +45324 3 2 2 112 44639 3148 3149 44640 +45325 3 2 2 112 44640 3149 3150 44641 +45326 3 2 2 112 44641 3150 3151 44642 +45327 3 2 2 112 44642 3151 3152 44643 +45328 3 2 2 112 44643 3152 3153 44644 +45329 3 2 2 112 44644 3153 3154 44645 +45330 3 2 2 112 44645 3154 3155 44646 +45331 3 2 2 112 44646 3155 3156 44647 +45332 3 2 2 112 44647 3156 3157 44648 +45333 3 2 2 112 44648 3157 3158 44649 +45334 3 2 2 112 44649 3158 3159 44650 +45335 3 2 2 112 44650 3159 3160 44651 +45336 3 2 2 112 44651 3160 3161 44652 +45337 3 2 2 112 44652 3161 3162 44653 +45338 3 2 2 112 44653 3162 3163 44654 +45339 3 2 2 112 44654 3163 3164 44655 +45340 3 2 2 112 44655 3164 58 3165 +$EndElements diff --git a/examples/MSRE_moltres/publication_basis/4group_eigen.i b/examples/MSRE_moltres/publication_basis/4group_eigen.i new file mode 100644 index 00000000..2f302c3a --- /dev/null +++ b/examples/MSRE_moltres/publication_basis/4group_eigen.i @@ -0,0 +1,83 @@ +[GlobalParams] + num_groups = 4 + num_precursor_groups = 6 + use_exp_form = false + group_fluxes = 'group1 group2 group3 group4' + temperature = 922 + sss2_input = true + pre_concs = '' + account_delayed = false +[] + +[Mesh] + coord_type = RZ + file = '2d_lattice_structured.msh' +[] + +[Nt] + var_name_base = group + vacuum_boundaries = 'fuel_bottoms fuel_tops moder_bottoms moder_tops outer_wall' + create_temperature_var = false + eigen = true +[] + +[Materials] + [fuel] + type = GenericMoltresMaterial + property_tables_root = './data/msre_gentry_4g_fuel_rod0_' + interp_type = 'spline' + block = 'fuel' + [] + [moder] + type = GenericMoltresMaterial + property_tables_root = './data/msre_gentry_4g_moder_rod0_' + interp_type = 'spline' + block = 'moder' + [] +[] + +[Executioner] + type = Eigenvalue + eigen_tol = 1e-6 + normalization = bnorm + normal_factor = 1 + solve_type = 'PJFNK' + # solve_type = 'NEWTON' + petsc_options = '-snes_converged_reason -ksp_converged_reason -snes_linesearch_monitor' + petsc_options_iname = '-pc_type' + petsc_options_value = 'lu' + # petsc_options_iname = '-pc_type -sub_pc_type' + # petsc_options_value = 'asm lu' +[] + +[Preconditioning] + [SMP] + type = SMP + full = true + [] +[] + +[Postprocessors] + [bnorm] + type = ElmIntegTotFissNtsPostprocessor + block = 'fuel' + execute_on = 'nonlinear linear timestep_end' + [] + [group1diff] + type = ElementL2Diff + variable = group1 + execute_on = 'nonlinear linear timestep_end' + use_displaced_mesh = false + [] +[] + +[Outputs] + perf_graph = true + print_linear_residuals = true + csv = true + exodus = true +[] + +[Debug] + show_var_residual_norms = true +[] diff --git a/examples/MSRE_moltres/publication_basis/auto_diff_rho.i b/examples/MSRE_moltres/publication_basis/auto_diff_rho.i new file mode 100644 index 00000000..88df9158 --- /dev/null +++ b/examples/MSRE_moltres/publication_basis/auto_diff_rho.i @@ -0,0 +1,272 @@ +flow_velocity = 21.7 # cm/s. See MSRE-properties.ods +nt_scale = 1e13 +ini_temp = 922 +diri_temp = 922 +gamma_frac = .075 +R = 70.1675 +H = 162.56 + +[GlobalParams] + num_groups = 4 + num_precursor_groups = 6 + use_exp_form = false + group_fluxes = 'group1 group2 group3 group4' + temperature = temp + sss2_input = true + pre_concs = 'pre1 pre2 pre3 pre4 pre5 pre6' + account_delayed = true + nt_scale = ${nt_scale} +[] + +[Mesh] + coord_type = RZ + file = '2d_lattice_structured.msh' +[] + +[Variables] + [temp] + initial_condition = ${ini_temp} + scaling = 1e-4 + [] +[] + +[AuxVariables] + [power_density] + order = CONSTANT + family = MONOMIAL + [] +[] + +[Precursors] + [pres] + var_name_base = pre + block = 'fuel' + outlet_boundaries = 'fuel_tops' + u_def = 0 + v_def = ${flow_velocity} + w_def = 0 + nt_exp_form = false + loop_precursors = false + family = MONOMIAL + order = CONSTANT + # jac_test = true + [] +[] + +[Nt] + var_name_base = group + vacuum_boundaries = 'fuel_bottoms fuel_tops moder_bottoms moder_tops outer_wall' + create_temperature_var = false + scaling = 1e-4 + pre_blocks = 'fuel' +[] + +[Kernels] + # Temperature + [temp_time_derivative] + type = MatINSTemperatureTimeDerivative + variable = temp + [] + [temp_source_fuel] + type = TransientFissionHeatSource + variable = temp + block = 'fuel' + [] + [temp_source_mod] + type = GammaHeatSource + variable = temp + block = 'moder' + average_fission_heat = 'average_fission_heat' + gamma = gamma_func + [] + [temp_diffusion] + type = MatDiffusion + diffusivity = 'k' + variable = temp + [] + [temp_advection_fuel] + type = ConservativeTemperatureAdvection + velocity_variable = '0 ${flow_velocity} 0' + variable = temp + block = 'fuel' + [] +[] + +[BCs] + [temp_diri_cg] + boundary = 'fuel_bottoms outer_wall' + type = FlexiblePostprocessorDirichletBC + postprocessor = coreEndTemp + offset = -27.8 + variable = temp + [] + # [./temp_diri_cg] + # boundary = 'moder_bottoms fuel_bottoms outer_wall' + # type = FunctionDirichletBC + # function = 'temp_bc_func' + # variable = temp + # [../] + [temp_advection_outlet] + boundary = 'fuel_tops' + type = TemperatureOutflowBC + variable = temp + velocity = '0 ${flow_velocity} 0' + [] +[] + +[AuxKernels] + [fuel] + block = 'fuel' + type = FissionHeatSourceTransientAux + variable = power_density + [] + [moderator] + block = 'moder' + type = ModeratorHeatSourceTransientAux + average_fission_heat = 'average_fission_heat' + variable = power_density + gamma = gamma_func + [] +[] + +[Functions] + [temp_bc_func] + type = ParsedFunction + expression = '${ini_temp} - (${ini_temp} - ${diri_temp}) * tanh(t/1e-2)' + [] + [gamma_func] + type = ParsedFunction + expression = '${gamma_frac} * pi^2 / 4 * cos(pi * x / (2. * ${R})) * sin(pi * y / ${H})' + [] +[] + +[Materials] + [fuel] + type = GenericMoltresMaterial + property_tables_root = './data/msre_gentry_4g_fuel_rod0_' + interp_type = 'spline' + block = 'fuel' + prop_names = 'k cp' + prop_values = '.0553 1967' # Robertson MSRE technical report @ 922 K + controller_gain = 0 + [] + [rho_fuel] + type = DerivativeParsedMaterial + property_name = rho + expression = '2.146e-3 * exp(-1.8 * 1.18e-4 * (temp - 922))' + coupled_variables = 'temp' + derivative_order = 1 + block = 'fuel' + [] + [moder] + type = GenericMoltresMaterial + property_tables_root = './data/msre_gentry_4g_moder_rod0_' + interp_type = 'spline' + prop_names = 'k cp' + prop_values = '.312 1760' # Cammi 2011 at 908 K + block = 'moder' + controller_gain = 0 + [] + [rho_moder] + type = DerivativeParsedMaterial + property_name = rho + expression = '1.86e-3 * exp(-1.8 * 1.0e-5 * (temp - 922))' + coupled_variables = 'temp' + derivative_order = 1 + block = 'moder' + [] +[] + +[Executioner] + type = Transient + end_time = 10000 + + nl_rel_tol = 1e-6 + nl_abs_tol = 6e-6 + + solve_type = 'PJFNK' + line_search = none + petsc_options = '-snes_converged_reason -ksp_converged_reason -snes_linesearch_monitor' + petsc_options_iname = '-pc_type' + petsc_options_value = 'lu' + + nl_max_its = 30 + l_max_its = 100 + + dtmin = 1e-5 + [TimeStepper] + type = PostprocessorDT + postprocessor = limit_k + dt = 1e-3 + [] +[] + +[Preconditioning] + [SMP] + type = SMP + full = true + [] +[] + +[Postprocessors] + [group1_current] + type = IntegralNewVariablePostprocessor + variable = group1 + outputs = 'console csv' + [] + [group1_old] + type = IntegralOldVariablePostprocessor + variable = group1 + outputs = 'console csv' + [] + [multiplication] + type = DivisionPostprocessor + value1 = group1_current + value2 = group1_old + outputs = 'console csv' + [] + [temp_fuel] + type = ElementAverageValue + variable = temp + block = 'fuel' + outputs = 'csv console' + [] + [temp_moder] + type = ElementAverageValue + variable = temp + block = 'moder' + outputs = 'csv console' + [] + [average_fission_heat] + type = AverageFissionHeat + execute_on = 'linear nonlinear' + outputs = 'csv console' + block = 'fuel' + [] + [coreEndTemp] + type = SideAverageValue + variable = temp + boundary = 'fuel_tops' + outputs = 'csv console' + execute_on = 'linear nonlinear' + [] + [limit_k] + type = LimitK + execute_on = 'timestep_end' + k_postprocessor = multiplication + growth_factor = 1.2 + cutback_factor = .4 + k_threshold = 1.5 + [] +[] + +[Outputs] + perf_graph = true + print_linear_residuals = true + csv = true + exodus = true +[] + +[Debug] + show_var_residual_norms = true +[] diff --git a/examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_fuel_rod0_BETA_EFF.txt b/examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_fuel_rod0_BETA_EFF.txt new file mode 100644 index 00000000..e0235374 --- /dev/null +++ b/examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_fuel_rod0_BETA_EFF.txt @@ -0,0 +1,15 @@ +633.0 0.000226501 0.001154 0.00111757 0.00319026 0.00092849 0.000330988 +700.0 0.00022106 0.00116751 0.00111846 0.00317024 0.000918021 0.000325859 +800.0 0.000225459 0.00116428 0.00111583 0.00323192 0.000930666 0.00033578 +900.0 0.000229174 0.00116293 0.00111343 0.00320767 0.000921391 0.000324342 +1000.0 0.000218601 0.00113847 0.00114819 0.00314531 0.000940881 0.000344166 +1100.0 0.000229803 0.00116081 0.00113566 0.00317357 0.000928951 0.000332866 +1200.0 0.000230486 0.00114622 0.00112777 0.00319282 0.00094333 0.000330385 +1300.0 0.000229214 0.00114182 0.00112891 0.00321003 0.000934204 0.000329161 +1400.0 0.000221727 0.00117281 0.00114341 0.00317979 0.000937756 0.000335451 +1500.0 0.000223555 0.00115058 0.00114461 0.00319446 0.000946769 0.000334195 +1600.0 0.000226473 0.00117587 0.00111343 0.00318227 0.000939181 0.000323947 +1700.0 0.000227331 0.00117364 0.00113638 0.00320646 0.000925771 0.000329403 +1800.0 0.000225931 0.00117382 0.00113728 0.00318722 0.000948451 0.000330997 +1900.0 0.000220137 0.00116971 0.00113134 0.00322468 0.000941208 0.00033239 +2000.0 0.000232401 0.00116898 0.00114567 0.00321873 0.000942671 0.000334279 diff --git a/examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_fuel_rod0_CHID.txt b/examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_fuel_rod0_CHID.txt new file mode 100644 index 00000000..3c4db19c --- /dev/null +++ b/examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_fuel_rod0_CHID.txt @@ -0,0 +1,15 @@ +633.0 0.994947 0.00504262 1.00934e-05 0.0 +700.0 0.994639 0.00532647 3.48189e-05 0.0 +800.0 0.994864 0.00511575 2.05496e-05 0.0 +900.0 0.994818 0.00516746 9.8412e-06 4.75841e-06 +1000.0 0.994862 0.00512269 1.56495e-05 0.0 +1100.0 0.994777 0.00520191 2.0825e-05 0.0 +1200.0 0.99497 0.00501523 1.49331e-05 0.0 +1300.0 0.994554 0.005441 5.04247e-06 0.0 +1400.0 0.994972 0.00501791 9.70455e-06 0.0 +1500.0 0.994832 0.00514246 2.51787e-05 0.0 +1600.0 0.994774 0.00520565 2.07985e-05 0.0 +1700.0 0.994751 0.00523332 1.52376e-05 0.0 +1800.0 0.994412 0.00557171 1.58132e-05 0.0 +1900.0 0.994583 0.00540201 1.54555e-05 0.0 +2000.0 0.994594 0.00538083 2.50013e-05 0.0 diff --git a/examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_fuel_rod0_CHIP.txt b/examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_fuel_rod0_CHIP.txt new file mode 100644 index 00000000..643eaf86 --- /dev/null +++ b/examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_fuel_rod0_CHIP.txt @@ -0,0 +1,15 @@ +633.0 0.999659 0.00034065 1.67534e-07 0.0 +700.0 0.999663 0.00033679 3.41142e-08 0.0 +800.0 0.999666 0.00033427 0.0 0.0 +900.0 0.999659 0.000340898 6.79266e-08 0.0 +1000.0 0.999652 0.000347815 1.34056e-07 0.0 +1100.0 0.99966 0.000340105 1.01997e-07 0.0 +1200.0 0.999661 0.000338721 6.63697e-08 0.0 +1300.0 0.999653 0.000346912 0.0 0.0 +1400.0 0.999655 0.000344483 6.79713e-08 0.0 +1500.0 0.999656 0.000343921 6.67756e-08 0.0 +1600.0 0.999659 0.000340998 0.0 0.0 +1700.0 0.999661 0.000338992 9.78236e-08 0.0 +1800.0 0.99966 0.000339523 3.27452e-08 0.0 +1900.0 0.999662 0.000337694 3.32127e-08 0.0 +2000.0 0.999658 0.000341767 3.40616e-08 0.0 diff --git a/examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_fuel_rod0_CHIT.txt b/examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_fuel_rod0_CHIT.txt new file mode 100644 index 00000000..a213811e --- /dev/null +++ b/examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_fuel_rod0_CHIT.txt @@ -0,0 +1,15 @@ +633.0 0.999629 0.000371254 2.31933e-07 0.0 +700.0 0.999631 0.000369169 2.62612e-07 0.0 +800.0 0.999634 0.000365461 1.32844e-07 0.0 +900.0 0.999628 0.000372309 1.32964e-07 3.22355e-08 +1000.0 0.999621 0.000378993 2.33866e-07 0.0 +1100.0 0.999628 0.000371865 2.35066e-07 0.0 +1200.0 0.999631 0.000369101 1.62992e-07 0.0 +1300.0 0.99962 0.000380162 3.21154e-08 0.0 +1400.0 0.999625 0.000374946 1.33172e-07 0.0 +1500.0 0.999625 0.000375215 2.31404e-07 0.0 +1600.0 0.999627 0.000372574 1.36454e-07 0.0 +1700.0 0.999629 0.000370848 1.96373e-07 0.0 +1800.0 0.999626 0.000373621 1.32171e-07 0.0 +1900.0 0.999629 0.000370744 1.31135e-07 0.0 +2000.0 0.999625 0.000374568 1.99755e-07 0.0 diff --git a/examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_fuel_rod0_DIFFCOEF.txt b/examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_fuel_rod0_DIFFCOEF.txt new file mode 100644 index 00000000..317c81ad --- /dev/null +++ b/examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_fuel_rod0_DIFFCOEF.txt @@ -0,0 +1,15 @@ +633.0 1.27251 1.2358 1.2361 1.15834 +700.0 1.29054 1.25321 1.25319 1.17355 +800.0 1.31843 1.27971 1.27919 1.19668 +900.0 1.34673 1.30663 1.30575 1.22039 +1000.0 1.37549 1.33432 1.33288 1.24441 +1100.0 1.40508 1.36253 1.3608 1.26902 +1200.0 1.4356 1.39131 1.38915 1.29412 +1300.0 1.46619 1.42087 1.41821 1.31963 +1400.0 1.49758 1.45109 1.44807 1.3458 +1500.0 1.52968 1.48189 1.47851 1.37238 +1600.0 1.56258 1.5133 1.5095 1.39953 +1700.0 1.59597 1.54561 1.5413 1.42727 +1800.0 1.63066 1.57837 1.57384 1.4556 +1900.0 1.66564 1.61202 1.60701 1.4843 +2000.0 1.7011 1.64646 1.64107 1.51356 diff --git a/examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_fuel_rod0_FISS.txt b/examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_fuel_rod0_FISS.txt new file mode 100644 index 00000000..efe5fe43 --- /dev/null +++ b/examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_fuel_rod0_FISS.txt @@ -0,0 +1,15 @@ +633.0 0.000172839 0.00153527 0.003802 0.0223878 +700.0 0.000170353 0.00151395 0.00374785 0.0219858 +800.0 0.000166715 0.00148267 0.00367501 0.0214045 +900.0 0.000163161 0.00145325 0.00359837 0.0208385 +1000.0 0.00015967 0.00142294 0.00352555 0.0203064 +1100.0 0.000156274 0.00139442 0.00345409 0.0197876 +1200.0 0.000152935 0.00136629 0.00338531 0.0192809 +1300.0 0.000149666 0.00133727 0.00331549 0.0188015 +1400.0 0.000146478 0.00131006 0.00324824 0.0183377 +1500.0 0.000143357 0.00128374 0.0031836 0.0178845 +1600.0 0.00014029 0.00125666 0.00311816 0.0174559 +1700.0 0.000137306 0.00123126 0.00305511 0.0170365 +1800.0 0.000134388 0.00120576 0.00299362 0.0166242 +1900.0 0.000131524 0.0011806 0.00293275 0.016235 +2000.0 0.000128719 0.001156 0.00287479 0.0158518 diff --git a/examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_fuel_rod0_FLX.txt b/examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_fuel_rod0_FLX.txt new file mode 100644 index 00000000..b2550132 --- /dev/null +++ b/examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_fuel_rod0_FLX.txt @@ -0,0 +1,15 @@ +633.0 21.8251 17.8789 9.16045 16.5087 +700.0 21.8928 17.8982 9.18097 16.7341 +800.0 21.9768 17.9159 9.21575 17.0935 +900.0 22.0632 17.9349 9.24913 17.4687 +1000.0 22.1553 17.9559 9.28361 17.8252 +1100.0 22.2383 17.9765 9.32119 18.1966 +1200.0 22.3233 17.9939 9.36191 18.5683 +1300.0 22.4076 18.013 9.40499 18.9627 +1400.0 22.4882 18.0283 9.44066 19.3376 +1500.0 22.5711 18.0485 9.48539 19.7277 +1600.0 22.6556 18.0642 9.5319 20.1128 +1700.0 22.7245 18.0706 9.57454 20.5083 +1800.0 22.8024 18.0935 9.62338 20.9158 +1900.0 22.8793 18.1075 9.66772 21.2969 +2000.0 22.9497 18.1218 9.71322 21.7092 diff --git a/examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_fuel_rod0_INVV.txt b/examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_fuel_rod0_INVV.txt new file mode 100644 index 00000000..08537dc7 --- /dev/null +++ b/examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_fuel_rod0_INVV.txt @@ -0,0 +1,15 @@ +633.0 2.31881e-09 4.18652e-08 3.89292e-07 1.9966e-06 +700.0 2.31591e-09 4.18668e-08 3.89602e-07 1.98922e-06 +800.0 2.31171e-09 4.18738e-08 3.90075e-07 1.97889e-06 +900.0 2.30759e-09 4.18869e-08 3.90549e-07 1.96919e-06 +1000.0 2.30394e-09 4.19026e-08 3.9109e-07 1.96015e-06 +1100.0 2.30014e-09 4.1907e-08 3.91544e-07 1.95162e-06 +1200.0 2.29635e-09 4.19233e-08 3.92171e-07 1.94368e-06 +1300.0 2.29209e-09 4.19298e-08 3.92759e-07 1.93604e-06 +1400.0 2.28872e-09 4.19425e-08 3.93294e-07 1.92928e-06 +1500.0 2.28478e-09 4.19505e-08 3.93933e-07 1.92302e-06 +1600.0 2.28096e-09 4.19591e-08 3.94499e-07 1.9171e-06 +1700.0 2.27749e-09 4.1975e-08 3.9526e-07 1.91166e-06 +1800.0 2.27406e-09 4.19832e-08 3.95921e-07 1.90653e-06 +1900.0 2.27034e-09 4.1995e-08 3.96644e-07 1.90173e-06 +2000.0 2.26729e-09 4.1999e-08 3.97333e-07 1.8971e-06 diff --git a/examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_fuel_rod0_KAPPA.txt b/examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_fuel_rod0_KAPPA.txt new file mode 100644 index 00000000..30339ad9 --- /dev/null +++ b/examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_fuel_rod0_KAPPA.txt @@ -0,0 +1,15 @@ +633.0 202.746 202.27 202.27 202.27 +700.0 202.747 202.27 202.27 202.27 +800.0 202.749 202.27 202.27 202.27 +900.0 202.75 202.27 202.27 202.27 +1000.0 202.751 202.27 202.27 202.27 +1100.0 202.753 202.27 202.27 202.27 +1200.0 202.754 202.27 202.27 202.27 +1300.0 202.755 202.27 202.27 202.27 +1400.0 202.757 202.27 202.27 202.27 +1500.0 202.758 202.27 202.27 202.27 +1600.0 202.759 202.27 202.27 202.27 +1700.0 202.76 202.27 202.27 202.27 +1800.0 202.762 202.27 202.27 202.27 +1900.0 202.763 202.27 202.27 202.27 +2000.0 202.764 202.27 202.27 202.27 diff --git a/examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_fuel_rod0_LAMBDA.txt b/examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_fuel_rod0_LAMBDA.txt new file mode 100644 index 00000000..26f5c0be --- /dev/null +++ b/examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_fuel_rod0_LAMBDA.txt @@ -0,0 +1,15 @@ +633.0 0.0124906 0.0318222 0.109384 0.317046 1.35382 8.64066 +700.0 0.0124906 0.0318219 0.109384 0.317041 1.35383 8.64019 +800.0 0.0124906 0.0318217 0.109385 0.317039 1.35385 8.63996 +900.0 0.0124906 0.0318216 0.109385 0.317033 1.35382 8.64133 +1000.0 0.0124906 0.0318213 0.109386 0.317037 1.35384 8.63919 +1100.0 0.0124906 0.0318218 0.109387 0.317047 1.35384 8.64035 +1200.0 0.0124906 0.0318212 0.109389 0.317038 1.35386 8.64028 +1300.0 0.0124906 0.031821 0.109383 0.317053 1.35383 8.64018 +1400.0 0.0124906 0.0318221 0.109383 0.317048 1.35387 8.64031 +1500.0 0.0124906 0.0318216 0.109389 0.317031 1.35386 8.64004 +1600.0 0.0124906 0.0318227 0.109388 0.31704 1.35385 8.64213 +1700.0 0.0124906 0.031823 0.109383 0.317041 1.35386 8.63997 +1800.0 0.0124906 0.0318211 0.109388 0.317032 1.35383 8.63905 +1900.0 0.0124906 0.0318223 0.109385 0.317029 1.35387 8.64189 +2000.0 0.0124906 0.031822 0.109386 0.317039 1.35383 8.64047 diff --git a/examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_fuel_rod0_NSF.txt b/examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_fuel_rod0_NSF.txt new file mode 100644 index 00000000..e723e4f5 --- /dev/null +++ b/examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_fuel_rod0_NSF.txt @@ -0,0 +1,15 @@ +633.0 0.000434618 0.00373761 0.009264 0.0545525 +700.0 0.000428392 0.00368571 0.00913204 0.0535729 +800.0 0.000419284 0.00360956 0.00895457 0.0521563 +900.0 0.000410387 0.00353794 0.00876784 0.0507772 +1000.0 0.000401634 0.00346417 0.0085904 0.0494805 +1100.0 0.000393131 0.00339472 0.00841626 0.0482165 +1200.0 0.000384766 0.00332625 0.00824868 0.0469818 +1300.0 0.000376577 0.00325559 0.00807857 0.0458135 +1400.0 0.000368587 0.00318935 0.00791471 0.0446834 +1500.0 0.000360766 0.00312528 0.00775721 0.0435791 +1600.0 0.000353081 0.00305936 0.00759774 0.0425348 +1700.0 0.000345599 0.00299751 0.00744412 0.0415129 +1800.0 0.000338284 0.00293544 0.0072943 0.0405083 +1900.0 0.000331103 0.00287419 0.00714598 0.0395598 +2000.0 0.000324062 0.0028143 0.00700476 0.038626 diff --git a/examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_fuel_rod0_NUBAR.txt b/examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_fuel_rod0_NUBAR.txt new file mode 100644 index 00000000..0eb3dfb3 --- /dev/null +++ b/examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_fuel_rod0_NUBAR.txt @@ -0,0 +1,15 @@ +633.0 2.51458 2.43451 2.43661 2.4367 +700.0 2.51473 2.43451 2.43661 2.4367 +800.0 2.51498 2.43451 2.43661 2.4367 +900.0 2.51523 2.43451 2.43661 2.4367 +1000.0 2.51539 2.43451 2.43661 2.4367 +1100.0 2.51566 2.43451 2.43661 2.4367 +1200.0 2.51588 2.43451 2.43661 2.4367 +1300.0 2.51611 2.43451 2.43661 2.4367 +1400.0 2.51633 2.43451 2.43661 2.4367 +1500.0 2.51656 2.43451 2.43661 2.4367 +1600.0 2.51679 2.43451 2.43661 2.4367 +1700.0 2.51699 2.43451 2.43661 2.4367 +1800.0 2.51722 2.43451 2.43661 2.4367 +1900.0 2.51744 2.43451 2.43661 2.4367 +2000.0 2.51759 2.43451 2.43661 2.4367 diff --git a/examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_fuel_rod0_REMXS.txt b/examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_fuel_rod0_REMXS.txt new file mode 100644 index 00000000..2eef843e --- /dev/null +++ b/examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_fuel_rod0_REMXS.txt @@ -0,0 +1,15 @@ +633.0 0.00641206 0.00969208 0.0228723 0.0287044 +700.0 0.00630494 0.00958124 0.0227346 0.0283234 +800.0 0.00615526 0.00941753 0.022481 0.0277418 +900.0 0.00600727 0.00923789 0.0222502 0.0271766 +1000.0 0.00587048 0.00904208 0.0220101 0.0266764 +1100.0 0.00572933 0.00890595 0.0217447 0.0261778 +1200.0 0.00559222 0.00873912 0.0215173 0.0257141 +1300.0 0.005463 0.008574 0.021252 0.0252662 +1400.0 0.00533382 0.00842418 0.0209932 0.024838 +1500.0 0.0052104 0.00827595 0.0207482 0.0244129 +1600.0 0.00508539 0.00811758 0.0204935 0.0240382 +1700.0 0.00496814 0.00796671 0.0202444 0.0236807 +1800.0 0.00485335 0.00781238 0.0199607 0.0233165 +1900.0 0.00474103 0.00766465 0.0197269 0.0229961 +2000.0 0.00462802 0.00752422 0.0194576 0.0226719 diff --git a/examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_fuel_rod0_SP0.txt b/examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_fuel_rod0_SP0.txt new file mode 100644 index 00000000..a02af752 --- /dev/null +++ b/examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_fuel_rod0_SP0.txt @@ -0,0 +1,15 @@ +633.0 0.320054 0.00583519 6.21411e-09 0.0 0.0 0.273182 0.00547793 0.0 0.0 0.0 0.259886 0.0105679 0.0 0.0 0.000747597 0.273214 +700.0 0.315674 0.00573369 7.58778e-09 0.0 0.0 0.269367 0.00539877 0.0 0.0 0.0 0.256184 0.0104873 0.0 0.0 0.000847786 0.269699 +800.0 0.309205 0.00559742 1.05242e-08 0.0 0.0 0.263778 0.00528412 0.0 0.0 0.0 0.25077 0.0103568 0.0 0.0 0.000997703 0.264553 +900.0 0.302886 0.00546077 1.04464e-08 0.0 0.0 0.258308 0.00516431 0.0 0.0 3.00785e-06 0.245442 0.0102469 0.0 0.0 0.00114281 0.25948 +1000.0 0.296724 0.0053344 7.57534e-09 0.0 0.0 0.252968 0.00502022 0.0 0.0 3.60883e-06 0.240224 0.0101413 0.0 0.0 0.00129267 0.254478 +1100.0 0.29066 0.00520406 8.89717e-09 0.0 0.0 0.247691 0.00493863 0.0 0.0 4.3179e-06 0.235128 0.0100308 0.0 0.0 0.00144414 0.24956 +1200.0 0.284709 0.00507944 1.47427e-08 0.0 0.0 0.242534 0.00483572 0.0 0.0 5.00512e-06 0.230104 0.00995192 0.0 0.0 0.0015958 0.244694 +1300.0 0.278912 0.00495761 7.32656e-09 0.0 0.0 0.237472 0.00473248 0.0 0.0 5.6229e-06 0.225206 0.00984316 0.0 0.0 0.00174842 0.23994 +1400.0 0.273213 0.00484029 5.91658e-09 0.0 0.0 0.232514 0.00463854 0.0 0.0 6.23031e-06 0.220404 0.00975112 0.0 0.0 0.00190075 0.235258 +1500.0 0.267604 0.0047255 7.40674e-09 0.0 0.0 0.22766 0.0045465 0.0 0.0 7.00234e-06 0.215676 0.00966657 0.0 0.0 0.002051 0.230654 +1600.0 0.262185 0.00461105 8.62858e-09 0.0 0.0 0.222907 0.00445287 0.0 0.0 7.53685e-06 0.211067 0.0095768 0.0 0.0 0.002208 0.226129 +1700.0 0.25682 0.00450213 8.76046e-09 0.0 0.0 0.218248 0.00436699 0.0 0.0 8.55747e-06 0.206554 0.00949876 0.0 0.0 0.00236636 0.221665 +1800.0 0.251551 0.00439733 5.89241e-09 0.0 0.0 0.213693 0.00427456 0.0 0.0 9.55974e-06 0.202144 0.00940984 0.0 0.0 0.00252232 0.217279 +1900.0 0.246419 0.00429411 7.20731e-09 0.0 0.0 0.209221 0.00418636 0.0 0.0 1.01721e-05 0.197799 0.00933616 0.0 0.0 0.00267905 0.212979 +2000.0 0.241413 0.00419059 2.95754e-09 0.0 0.0 0.204845 0.00410267 0.0 0.0 1.08818e-05 0.193575 0.00924822 0.0 0.0 0.00283566 0.20875 diff --git a/examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_moder_rod0_BETA_EFF.txt b/examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_moder_rod0_BETA_EFF.txt new file mode 100644 index 00000000..acefa3ed --- /dev/null +++ b/examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_moder_rod0_BETA_EFF.txt @@ -0,0 +1,14 @@ +633.0 0.0 0.0 0.0 0.0 0.0 0.0 +700.0 0.0 0.0 0.0 0.0 0.0 0.0 +800.0 0.0 0.0 0.0 0.0 0.0 0.0 +900.0 0.0 0.0 0.0 0.0 0.0 0.0 +1000.0 0.0 0.0 0.0 0.0 0.0 0.0 +1100.0 0.0 0.0 0.0 0.0 0.0 0.0 +1200.0 0.0 0.0 0.0 0.0 0.0 0.0 +1300.0 0.0 0.0 0.0 0.0 0.0 0.0 +1400.0 0.0 0.0 0.0 0.0 0.0 0.0 +1500.0 0.0 0.0 0.0 0.0 0.0 0.0 +1600.0 0.0 0.0 0.0 0.0 0.0 0.0 +1700.0 0.0 0.0 0.0 0.0 0.0 0.0 +1800.0 0.0 0.0 0.0 0.0 0.0 0.0 +1900.0 0.0 0.0 0.0 0.0 0.0 0.0 diff --git a/examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_moder_rod0_CHID.txt b/examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_moder_rod0_CHID.txt new file mode 100644 index 00000000..5153ae3c --- /dev/null +++ b/examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_moder_rod0_CHID.txt @@ -0,0 +1,14 @@ +633.0 0.0 0.0 0.0 0.0 +700.0 0.0 0.0 0.0 0.0 +800.0 0.0 0.0 0.0 0.0 +900.0 0.0 0.0 0.0 0.0 +1000.0 0.0 0.0 0.0 0.0 +1100.0 0.0 0.0 0.0 0.0 +1200.0 0.0 0.0 0.0 0.0 +1300.0 0.0 0.0 0.0 0.0 +1400.0 0.0 0.0 0.0 0.0 +1500.0 0.0 0.0 0.0 0.0 +1600.0 0.0 0.0 0.0 0.0 +1700.0 0.0 0.0 0.0 0.0 +1800.0 0.0 0.0 0.0 0.0 +1900.0 0.0 0.0 0.0 0.0 diff --git a/examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_moder_rod0_CHIP.txt b/examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_moder_rod0_CHIP.txt new file mode 100644 index 00000000..5153ae3c --- /dev/null +++ b/examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_moder_rod0_CHIP.txt @@ -0,0 +1,14 @@ +633.0 0.0 0.0 0.0 0.0 +700.0 0.0 0.0 0.0 0.0 +800.0 0.0 0.0 0.0 0.0 +900.0 0.0 0.0 0.0 0.0 +1000.0 0.0 0.0 0.0 0.0 +1100.0 0.0 0.0 0.0 0.0 +1200.0 0.0 0.0 0.0 0.0 +1300.0 0.0 0.0 0.0 0.0 +1400.0 0.0 0.0 0.0 0.0 +1500.0 0.0 0.0 0.0 0.0 +1600.0 0.0 0.0 0.0 0.0 +1700.0 0.0 0.0 0.0 0.0 +1800.0 0.0 0.0 0.0 0.0 +1900.0 0.0 0.0 0.0 0.0 diff --git a/examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_moder_rod0_CHIT.txt b/examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_moder_rod0_CHIT.txt new file mode 100644 index 00000000..5153ae3c --- /dev/null +++ b/examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_moder_rod0_CHIT.txt @@ -0,0 +1,14 @@ +633.0 0.0 0.0 0.0 0.0 +700.0 0.0 0.0 0.0 0.0 +800.0 0.0 0.0 0.0 0.0 +900.0 0.0 0.0 0.0 0.0 +1000.0 0.0 0.0 0.0 0.0 +1100.0 0.0 0.0 0.0 0.0 +1200.0 0.0 0.0 0.0 0.0 +1300.0 0.0 0.0 0.0 0.0 +1400.0 0.0 0.0 0.0 0.0 +1500.0 0.0 0.0 0.0 0.0 +1600.0 0.0 0.0 0.0 0.0 +1700.0 0.0 0.0 0.0 0.0 +1800.0 0.0 0.0 0.0 0.0 +1900.0 0.0 0.0 0.0 0.0 diff --git a/examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_moder_rod0_DIFFCOEF.txt b/examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_moder_rod0_DIFFCOEF.txt new file mode 100644 index 00000000..b5611ada --- /dev/null +++ b/examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_moder_rod0_DIFFCOEF.txt @@ -0,0 +1,14 @@ +633.0 1.20698 0.795611 0.793311 0.756965 +700.0 1.20829 0.796586 0.794206 0.758315 +800.0 1.21053 0.797979 0.795533 0.759711 +900.0 1.21268 0.799403 0.796853 0.761049 +1000.0 1.21491 0.80088 0.798216 0.762944 +1100.0 1.21697 0.802311 0.799508 0.764178 +1200.0 1.21928 0.803752 0.800956 0.765775 +1300.0 1.22138 0.805227 0.80225 0.76682 +1400.0 1.22361 0.80668 0.80363 0.768135 +1500.0 1.22583 0.808117 0.804928 0.76959 +1600.0 1.22794 0.809569 0.806286 0.771234 +1700.0 1.2302 0.811008 0.807601 0.77228 +1800.0 1.23248 0.812465 0.808982 0.773402 +1900.0 1.23454 0.813918 0.810306 0.77468 diff --git a/examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_moder_rod0_FISS.txt b/examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_moder_rod0_FISS.txt new file mode 100644 index 00000000..5153ae3c --- /dev/null +++ b/examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_moder_rod0_FISS.txt @@ -0,0 +1,14 @@ +633.0 0.0 0.0 0.0 0.0 +700.0 0.0 0.0 0.0 0.0 +800.0 0.0 0.0 0.0 0.0 +900.0 0.0 0.0 0.0 0.0 +1000.0 0.0 0.0 0.0 0.0 +1100.0 0.0 0.0 0.0 0.0 +1200.0 0.0 0.0 0.0 0.0 +1300.0 0.0 0.0 0.0 0.0 +1400.0 0.0 0.0 0.0 0.0 +1500.0 0.0 0.0 0.0 0.0 +1600.0 0.0 0.0 0.0 0.0 +1700.0 0.0 0.0 0.0 0.0 +1800.0 0.0 0.0 0.0 0.0 +1900.0 0.0 0.0 0.0 0.0 diff --git a/examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_moder_rod0_FLX.txt b/examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_moder_rod0_FLX.txt new file mode 100644 index 00000000..78f15fee --- /dev/null +++ b/examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_moder_rod0_FLX.txt @@ -0,0 +1,14 @@ +633.0 63.611 55.3998 27.8987 54.9741 +700.0 63.5986 55.3857 27.96 55.8986 +800.0 63.641 55.4101 28.1079 57.2886 +900.0 63.6592 55.4247 28.2589 58.5252 +1000.0 63.64 55.4218 28.4176 59.8657 +1100.0 63.6508 55.4462 28.6187 61.049 +1200.0 63.6973 55.4551 28.8934 62.2326 +1300.0 63.7237 55.4916 29.1885 63.2435 +1400.0 63.7476 55.5164 29.547 64.2635 +1500.0 63.7719 55.5398 29.9907 65.2526 +1600.0 63.7889 55.5429 30.4949 66.1309 +1700.0 63.8235 55.5674 31.0288 66.8237 +1800.0 63.8314 55.574 31.6358 67.504 +1900.0 63.8781 55.6171 32.3468 68.056 diff --git a/examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_moder_rod0_INVV.txt b/examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_moder_rod0_INVV.txt new file mode 100644 index 00000000..b64501c3 --- /dev/null +++ b/examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_moder_rod0_INVV.txt @@ -0,0 +1,14 @@ +633.0 2.35258e-09 4.29987e-08 3.80194e-07 2.16924e-06 +700.0 2.35283e-09 4.29953e-08 3.80759e-07 2.11926e-06 +800.0 2.3529e-09 4.29891e-08 3.81794e-07 2.0502e-06 +900.0 2.35284e-09 4.30023e-08 3.8312e-07 1.98853e-06 +1000.0 2.35315e-09 4.30193e-08 3.84823e-07 1.92707e-06 +1100.0 2.35341e-09 4.30297e-08 3.86894e-07 1.87454e-06 +1200.0 2.35326e-09 4.30186e-08 3.89354e-07 1.823e-06 +1300.0 2.35337e-09 4.30209e-08 3.92123e-07 1.7809e-06 +1400.0 2.35366e-09 4.30216e-08 3.95574e-07 1.74047e-06 +1500.0 2.35367e-09 4.30248e-08 3.9973e-07 1.70152e-06 +1600.0 2.35372e-09 4.30211e-08 4.04731e-07 1.66438e-06 +1700.0 2.35392e-09 4.30191e-08 4.09617e-07 1.63433e-06 +1800.0 2.35392e-09 4.30189e-08 4.15077e-07 1.60608e-06 +1900.0 2.35421e-09 4.30201e-08 4.2112e-07 1.57881e-06 diff --git a/examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_moder_rod0_KAPPA.txt b/examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_moder_rod0_KAPPA.txt new file mode 100644 index 00000000..5153ae3c --- /dev/null +++ b/examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_moder_rod0_KAPPA.txt @@ -0,0 +1,14 @@ +633.0 0.0 0.0 0.0 0.0 +700.0 0.0 0.0 0.0 0.0 +800.0 0.0 0.0 0.0 0.0 +900.0 0.0 0.0 0.0 0.0 +1000.0 0.0 0.0 0.0 0.0 +1100.0 0.0 0.0 0.0 0.0 +1200.0 0.0 0.0 0.0 0.0 +1300.0 0.0 0.0 0.0 0.0 +1400.0 0.0 0.0 0.0 0.0 +1500.0 0.0 0.0 0.0 0.0 +1600.0 0.0 0.0 0.0 0.0 +1700.0 0.0 0.0 0.0 0.0 +1800.0 0.0 0.0 0.0 0.0 +1900.0 0.0 0.0 0.0 0.0 diff --git a/examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_moder_rod0_LAMBDA.txt b/examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_moder_rod0_LAMBDA.txt new file mode 100644 index 00000000..acefa3ed --- /dev/null +++ b/examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_moder_rod0_LAMBDA.txt @@ -0,0 +1,14 @@ +633.0 0.0 0.0 0.0 0.0 0.0 0.0 +700.0 0.0 0.0 0.0 0.0 0.0 0.0 +800.0 0.0 0.0 0.0 0.0 0.0 0.0 +900.0 0.0 0.0 0.0 0.0 0.0 0.0 +1000.0 0.0 0.0 0.0 0.0 0.0 0.0 +1100.0 0.0 0.0 0.0 0.0 0.0 0.0 +1200.0 0.0 0.0 0.0 0.0 0.0 0.0 +1300.0 0.0 0.0 0.0 0.0 0.0 0.0 +1400.0 0.0 0.0 0.0 0.0 0.0 0.0 +1500.0 0.0 0.0 0.0 0.0 0.0 0.0 +1600.0 0.0 0.0 0.0 0.0 0.0 0.0 +1700.0 0.0 0.0 0.0 0.0 0.0 0.0 +1800.0 0.0 0.0 0.0 0.0 0.0 0.0 +1900.0 0.0 0.0 0.0 0.0 0.0 0.0 diff --git a/examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_moder_rod0_NSF.txt b/examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_moder_rod0_NSF.txt new file mode 100644 index 00000000..5153ae3c --- /dev/null +++ b/examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_moder_rod0_NSF.txt @@ -0,0 +1,14 @@ +633.0 0.0 0.0 0.0 0.0 +700.0 0.0 0.0 0.0 0.0 +800.0 0.0 0.0 0.0 0.0 +900.0 0.0 0.0 0.0 0.0 +1000.0 0.0 0.0 0.0 0.0 +1100.0 0.0 0.0 0.0 0.0 +1200.0 0.0 0.0 0.0 0.0 +1300.0 0.0 0.0 0.0 0.0 +1400.0 0.0 0.0 0.0 0.0 +1500.0 0.0 0.0 0.0 0.0 +1600.0 0.0 0.0 0.0 0.0 +1700.0 0.0 0.0 0.0 0.0 +1800.0 0.0 0.0 0.0 0.0 +1900.0 0.0 0.0 0.0 0.0 diff --git a/examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_moder_rod0_NUBAR.txt b/examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_moder_rod0_NUBAR.txt new file mode 100644 index 00000000..5153ae3c --- /dev/null +++ b/examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_moder_rod0_NUBAR.txt @@ -0,0 +1,14 @@ +633.0 0.0 0.0 0.0 0.0 +700.0 0.0 0.0 0.0 0.0 +800.0 0.0 0.0 0.0 0.0 +900.0 0.0 0.0 0.0 0.0 +1000.0 0.0 0.0 0.0 0.0 +1100.0 0.0 0.0 0.0 0.0 +1200.0 0.0 0.0 0.0 0.0 +1300.0 0.0 0.0 0.0 0.0 +1400.0 0.0 0.0 0.0 0.0 +1500.0 0.0 0.0 0.0 0.0 +1600.0 0.0 0.0 0.0 0.0 +1700.0 0.0 0.0 0.0 0.0 +1800.0 0.0 0.0 0.0 0.0 +1900.0 0.0 0.0 0.0 0.0 diff --git a/examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_moder_rod0_REMXS.txt b/examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_moder_rod0_REMXS.txt new file mode 100644 index 00000000..ca96ad28 --- /dev/null +++ b/examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_moder_rod0_REMXS.txt @@ -0,0 +1,14 @@ +633.0 0.0114197 0.0109021 0.0188256 0.00100041 +700.0 0.0114071 0.010885 0.0190419 0.00114732 +800.0 0.011388 0.0108614 0.0194109 0.00139176 +900.0 0.0113656 0.0108323 0.0198555 0.00167664 +1000.0 0.011348 0.0107981 0.0204546 0.00203718 +1100.0 0.0113296 0.0107668 0.0211544 0.00245922 +1200.0 0.0113092 0.010758 0.0220802 0.00301323 +1300.0 0.0112911 0.0107346 0.0230526 0.00360477 +1400.0 0.0112732 0.010709 0.0242679 0.00433667 +1500.0 0.0112522 0.010692 0.0257166 0.005225 +1600.0 0.011232 0.0106664 0.0274308 0.00629298 +1700.0 0.0112127 0.0106441 0.0290401 0.00734296 +1800.0 0.0111932 0.010621 0.0307918 0.0085218 +1900.0 0.0111765 0.010596 0.0326856 0.0098662 diff --git a/examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_moder_rod0_SP0.txt b/examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_moder_rod0_SP0.txt new file mode 100644 index 00000000..ac8ed0f8 --- /dev/null +++ b/examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_moder_rod0_SP0.txt @@ -0,0 +1,14 @@ +633.0 0.33086 0.011407 0.0 0.0 0.0 0.433045 0.0108984 0.0 0.0 0.0 0.425982 0.0187933 0.0 0.0 0.000814997 0.451783 +700.0 0.330473 0.0113945 0.0 0.0 0.0 0.432528 0.0108813 0.0 0.0 0.0 0.425264 0.0190093 0.0 0.0 0.000966292 0.451477 +800.0 0.32988 0.0113753 0.0 0.0 0.0 0.431754 0.0108577 0.0 0.0 5.00271e-07 0.424143 0.0193771 0.0 0.0 0.00121694 0.451011 +900.0 0.329287 0.0113532 0.0 0.0 0.0 0.430989 0.0108285 0.0 0.0 3.71917e-06 0.422952 0.019819 0.0 0.0 0.00150703 0.450542 +1000.0 0.328701 0.0113355 0.0 0.0 0.0 0.430229 0.0107944 0.0 0.0 4.38615e-06 0.421608 0.0204172 0.0 0.0 0.00187328 0.449864 +1100.0 0.328124 0.0113171 0.0 0.0 0.0 0.429468 0.0107631 0.0 0.0 5.39617e-06 0.420154 0.0211162 0.0 0.0 0.00230084 0.449164 +1200.0 0.327519 0.0112966 0.0 0.0 0.0 0.428686 0.0107543 0.0 0.0 6.43915e-06 0.418476 0.0220408 0.0 0.0 0.00285847 0.448225 +1300.0 0.326932 0.0112789 0.0 0.0 0.0 0.42792 0.0107308 0.0 0.0 7.54868e-06 0.416762 0.0230121 0.0 0.0 0.00345364 0.44735 +1400.0 0.326349 0.0112611 0.0 0.0 0.0 0.427158 0.0107054 0.0 0.0 8.32452e-06 0.414809 0.0242257 0.0 0.0 0.00418918 0.446269 +1500.0 0.325762 0.01124 0.0 0.0 0.0 0.426388 0.0106882 0.0 0.0 9.47832e-06 0.412629 0.0256734 0.0 0.0 0.00508146 0.444971 +1600.0 0.325173 0.0112197 0.0 0.0 0.0 0.425629 0.0106626 0.0 0.0 1.06148e-05 0.41019 0.027386 0.0 0.0 0.00615284 0.443447 +1700.0 0.324599 0.0112004 0.0 0.0 0.0 0.424867 0.0106403 0.0 0.0 1.18813e-05 0.407838 0.0289935 0.0 0.0 0.00720555 0.442033 +1800.0 0.324007 0.011181 0.0 0.0 0.0 0.424108 0.0106173 0.0 0.0 1.3094e-05 0.405351 0.0307436 0.0 0.0 0.00838752 0.440463 +1900.0 0.323442 0.0111643 0.0 0.0 0.0 0.423352 0.0105923 0.0 0.0 1.44956e-05 0.40273 0.0326359 0.0 0.0 0.00973341 0.438684 From df2ee04912c7bbabca4b0c4c7a315ef5474c49ef Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Fri, 15 May 2026 09:31:10 -0500 Subject: [PATCH 246/259] Clean up eign solver --- .../publication_basis/eigen_eval.i | 231 ++++++++++++++++++ 1 file changed, 231 insertions(+) create mode 100644 examples/MSRE_moltres/publication_basis/eigen_eval.i diff --git a/examples/MSRE_moltres/publication_basis/eigen_eval.i b/examples/MSRE_moltres/publication_basis/eigen_eval.i new file mode 100644 index 00000000..afc2b55a --- /dev/null +++ b/examples/MSRE_moltres/publication_basis/eigen_eval.i @@ -0,0 +1,231 @@ +[GlobalParams] + num_groups = 4 + num_precursor_groups = 6 + use_exp_form = false + group_fluxes = 'group1 group2 group3 group4' + temperature = temp + sss2_input = true + pre_concs = 'pre1 pre2 pre3 pre4 pre5 pre6' + account_delayed = true +[] + +[Problem] + allow_initial_conditions_with_restart = true +[] + +[Mesh] + file = './auto_diff_rho_out.e' +[../] + +[AuxVariables] + [./temp] + scaling = 1e-4 + initial_from_file_var = temp + initial_from_file_timestep = LATEST + [../] + [pre1] + family = MONOMIAL + order = CONSTANT + initial_from_file_var = pre1 + initial_from_file_timestep = LATEST + block = 'fuel' + [] + [pre2] + family = MONOMIAL + order = CONSTANT + initial_from_file_var = pre2 + initial_from_file_timestep = LATEST + block = 'fuel' + [] + [pre3] + family = MONOMIAL + order = CONSTANT + initial_from_file_var = pre3 + initial_from_file_timestep = LATEST + block = 'fuel' + [] + [pre4] + family = MONOMIAL + order = CONSTANT + initial_from_file_var = pre4 + initial_from_file_timestep = LATEST + block = 'fuel' + [] + [pre5] + family = MONOMIAL + order = CONSTANT + initial_from_file_var = pre5 + initial_from_file_timestep = LATEST + block = 'fuel' + [] + [pre6] + family = MONOMIAL + order = CONSTANT + initial_from_file_var = pre6 + initial_from_file_timestep = LATEST + block = 'fuel' + [] +[] + + +[Nt] + var_name_base = group + vacuum_boundaries = 'fuel_bottoms fuel_tops moder_bottoms moder_tops outer_wall' + pre_blocks = 'fuel' + create_temperature_var = false + eigen = true +[] + +[Materials] + [fuel] + type = GenericMoltresMaterial + property_tables_root = './data/msre_gentry_4g_fuel_rod0_' + interp_type = 'spline' + block = 'fuel' + prop_names = 'k cp' + prop_values = '.0553 1967' # Robertson MSRE technical report @ 922 K + controller_gain = 0 + [] + [rho_fuel] + type = DerivativeParsedMaterial + property_name = rho + expression = '2.146e-3 * exp(-1.8 * 1.18e-4 * (temp - 922))' + coupled_variables = 'temp' + derivative_order = 1 + block = 'fuel' + [] + [moder] + type = GenericMoltresMaterial + property_tables_root = './data/msre_gentry_4g_moder_rod0_' + interp_type = 'spline' + prop_names = 'k cp' + prop_values = '.312 1760' # Cammi 2011 at 908 K + block = 'moder' + controller_gain = 0 + [] + [rho_moder] + type = DerivativeParsedMaterial + property_name = rho + expression = '1.86e-3 * exp(-1.8 * 1.0e-5 * (temp - 922))' + coupled_variables = 'temp' + derivative_order = 1 + block = 'moder' + [] +[] + +[Executioner] + type = Eigenvalue + initial_eigenvalue = 1 + solve_type = 'PJFNK' + petsc_options = '-snes_converged_reason -ksp_converged_reason -snes_linesearch_monitor' + petsc_options_iname = '-pc_type -pc_hypre_type' + petsc_options_value = 'hypre boomeramg' + + automatic_scaling = true + compute_scaling_once = false + resid_vs_jac_scaling_param = 0.1 + + line_search = none +[] + + + + +[Postprocessors] + [pre1_integral] + type = ElementIntegralVariablePostprocessor + variable = pre1 + execute_on = linear + block = 'fuel' + [] + [k_eff] + type = VectorPostprocessorComponent + index = 0 + vectorpostprocessor = k_vpp + vector_name = eigen_values_real + [] + [bnorm] + type = ElmIntegTotFissNtsPostprocessor + block = 'fuel' + execute_on = linear + [] + [tot_fissions] + type = ElmIntegTotFissPostprocessor + execute_on = linear + [] + [powernorm] + type = ElmIntegTotFissHeatPostprocessor + execute_on = linear + [] + [group1norm] + type = ElementIntegralVariablePostprocessor + variable = group1 + execute_on = linear + [] + [group1max] + type = NodalExtremeValue + value_type = max + variable = group1 + execute_on = timestep_end + [] + [group1diff] + type = ElementL2Diff + variable = group1 + execute_on = 'linear timestep_end' + use_displaced_mesh = false + [] + [group2norm] + type = ElementIntegralVariablePostprocessor + variable = group2 + execute_on = linear + [] + [group2max] + type = NodalExtremeValue + value_type = max + variable = group2 + execute_on = timestep_end + [] + [group2diff] + type = ElementL2Diff + variable = group2 + execute_on = 'linear timestep_end' + use_displaced_mesh = false + [] + # MULTIAPP + [./inlet_mean_temp] + type = Receiver + initialize_old = true + execute_on = 'timestep_begin' + [../] +[] + +[VectorPostprocessors] + [k_vpp] + type = Eigenvalues + inverse_eigenvalue = false + [] + [centerline_flux] + type = LineValueSampler + variable = 'group1 group2 group3 group4' + start_point = '0 0 0' + end_point = '0 150 0' + num_points = 151 + sort_by = y + execute_on = FINAL + [] + [midplane_flux] + type = LineValueSampler + variable = 'group1 group2 group3 group4' + start_point = '0 75 0' + end_point = '69.375 75 0' + num_points = 100 + sort_by = x + execute_on = FINAL + [] +[] + +[Outputs] + [exodus] + type = Exodus + [] +[] \ No newline at end of file From 8fa60b7e7ec1bd42898cd9a3d4130487a02c697f Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Fri, 15 May 2026 11:51:13 -0500 Subject: [PATCH 247/259] Add no dnp sim and sub files --- .../publication_basis/no_dnp_sim.i | 321 ++++++++++++++++++ examples/MSRE_moltres/publication_basis/sub.i | 208 ++++++++++++ 2 files changed, 529 insertions(+) create mode 100644 examples/MSRE_moltres/publication_basis/no_dnp_sim.i create mode 100644 examples/MSRE_moltres/publication_basis/sub.i diff --git a/examples/MSRE_moltres/publication_basis/no_dnp_sim.i b/examples/MSRE_moltres/publication_basis/no_dnp_sim.i new file mode 100644 index 00000000..4e8838f4 --- /dev/null +++ b/examples/MSRE_moltres/publication_basis/no_dnp_sim.i @@ -0,0 +1,321 @@ +flow_velocity = 18.06 # cm/s +nt_scale = 1e13 +ini_temp = 922 +diri_temp = 922 +gamma_frac = .075 +R = 70.1675 +H = 162.56 + +[GlobalParams] + num_groups = 4 + num_precursor_groups = 6 + use_exp_form = false + group_fluxes = 'group1 group2 group3 group4' + temperature = temp + sss2_input = true + pre_concs = 'pre1 pre2 pre3 pre4 pre5 pre6' + account_delayed = true + nt_scale = ${nt_scale} +[] + +[Problem] + restart_file_base = 'auto_diff_rho_out_cp/LATEST' + allow_initial_conditions_with_restart = true +[] + +#[ICs] +# [pre1_zero] +# type = ConstantIC +# variable = pre1 +# value = 0 +# [] +# [pre2_zero] +# type = ConstantIC +# variable = pre2 +# value = 0 +# [] +# [pre3_zero] +# type = ConstantIC +# variable = pre3 +# value = 0 +# [] +# [pre4_zero] +# type = ConstantIC +# variable = pre4 +# value = 0 +# [] +# [pre5_zero] +# type = ConstantIC +# variable = pre5 +# value = 0 +# [] +# [pre6_zero] +# type = ConstantIC +# variable = pre6 +# value = 0 +# [] +#[] + +[Mesh] + coord_type = RZ + file = '2d_lattice_structured.msh' +[] + +[Variables] + [temp] + initial_from_file_var = temp + initial_from_file_timestep = LATEST + scaling = 1e-4 + [] +[] + +[AuxVariables] + [power_density] + order = CONSTANT + family = MONOMIAL + [] +[] + +[Precursors] + [pres] + var_name_base = pre + block = 'fuel' + outlet_boundaries = 'fuel_tops' + u_def = 0 + v_def = ${flow_velocity} + w_def = 0 + nt_exp_form = false + loop_precursors = false + #multi_app = loopApp + is_loopapp = false + inlet_boundaries = 'fuel_bottoms' + family = MONOMIAL + order = CONSTANT + # jac_test = true + [] +[] + +[Nt] + var_name_base = group + vacuum_boundaries = 'fuel_bottoms fuel_tops moder_bottoms moder_tops outer_wall' + create_temperature_var = false + scaling = 1e-4 + init_nts_from_file = true + pre_blocks = 'fuel' +[] + +[Kernels] + # Temperature + [temp_time_derivative] + type = MatINSTemperatureTimeDerivative + variable = temp + [] + [temp_source_fuel] + type = TransientFissionHeatSource + variable = temp + block = 'fuel' + [] + [temp_source_mod] + type = GammaHeatSource + variable = temp + block = 'moder' + average_fission_heat = 'average_fission_heat' + gamma = gamma_func + [] + [temp_diffusion] + type = MatDiffusion + diffusivity = 'k' + variable = temp + [] + [temp_advection_fuel] + type = ConservativeTemperatureAdvection + velocity_variable = '0 ${flow_velocity} 0' + variable = temp + block = 'fuel' + [] +[] + +[BCs] + [temp_diri_cg] + boundary = 'fuel_bottoms outer_wall' + type = FlexiblePostprocessorDirichletBC + postprocessor = coreEndTemp + offset = -27.8 + variable = temp + [] + # [./temp_diri_cg] + # boundary = 'moder_bottoms fuel_bottoms outer_wall' + # type = FunctionDirichletBC + # function = 'temp_bc_func' + # variable = temp + # [../] + [temp_advection_outlet] + boundary = 'fuel_tops' + type = TemperatureOutflowBC + variable = temp + velocity = '0 ${flow_velocity} 0' + [] +[] + +[AuxKernels] + [fuel] + block = 'fuel' + type = FissionHeatSourceTransientAux + variable = power_density + [] + [moderator] + block = 'moder' + type = ModeratorHeatSourceTransientAux + average_fission_heat = 'average_fission_heat' + variable = power_density + gamma = gamma_func + [] +[] + +[Functions] + [temp_bc_func] + type = ParsedFunction + expression = '${ini_temp} - (${ini_temp} - ${diri_temp}) * tanh(t/1e-2)' + [] + [gamma_func] + type = ParsedFunction + expression = '${gamma_frac} * pi^2 / 4 * cos(pi * x / (2. * ${R})) * sin(pi * y / ${H})' + [] +[] + + +[Materials] + [fuel] + type = GenericMoltresMaterial + property_tables_root = './data/msre_gentry_4g_fuel_rod0_' + interp_type = 'spline' + block = 'fuel' + prop_names = 'k cp' + prop_values = '.0553 1967' # Robertson MSRE technical report @ 922 K + controller_gain = 0 + [] + [rho_fuel] + type = DerivativeParsedMaterial + property_name = rho + expression = '2.146e-3 * exp(-1.8 * 1.18e-4 * (temp - 922))' + coupled_variables = 'temp' + derivative_order = 1 + block = 'fuel' + [] + [moder] + type = GenericMoltresMaterial + property_tables_root = './data/msre_gentry_4g_moder_rod0_' + interp_type = 'spline' + prop_names = 'k cp' + prop_values = '.312 1760' # Cammi 2011 at 908 K + block = 'moder' + controller_gain = 0 + [] + [rho_moder] + type = DerivativeParsedMaterial + property_name = rho + expression = '1.86e-3 * exp(-1.8 * 1.0e-5 * (temp - 922))' + coupled_variables = 'temp' + derivative_order = 1 + block = 'moder' + [] +[] + +[Executioner] + type = Transient + num_steps = 1 + dt = 1e-6 + + nl_rel_tol = 1e-6 + nl_abs_tol = 6e-6 + + solve_type = 'PJFNK' + line_search = none + petsc_options = '-snes_converged_reason -ksp_converged_reason -snes_linesearch_monitor' + petsc_options_iname = '-pc_type' + petsc_options_value = 'lu' + + nl_max_its = 30 + l_max_its = 100 + +[] + +[Preconditioning] + [SMP] + type = SMP + full = true + [] +[] + +[Postprocessors] + [group1_current] + type = IntegralNewVariablePostprocessor + variable = group1 + outputs = 'console csv' + [] + [group1_old] + type = IntegralOldVariablePostprocessor + variable = group1 + outputs = 'console csv' + [] + [multiplication] + type = DivisionPostprocessor + value1 = group1_current + value2 = group1_old + outputs = 'console csv' + [] + [temp_fuel] + type = ElementAverageValue + variable = temp + block = 'fuel' + outputs = 'csv console' + [] + [temp_moder] + type = ElementAverageValue + variable = temp + block = 'moder' + outputs = 'csv console' + [] + [average_fission_heat] + type = AverageFissionHeat + execute_on = 'linear nonlinear' + outputs = 'csv console' + block = 'fuel' + [] + [coreEndTemp] + type = SideAverageValue + variable = temp + boundary = 'fuel_tops' + outputs = 'csv console' + execute_on = 'linear nonlinear' + [] + [limit_k] + type = LimitK + execute_on = 'timestep_end' + k_postprocessor = multiplication + growth_factor = 1.2 + cutback_factor = .4 + k_threshold = 1.5 + [] +[] + +[Outputs] + perf_graph = true + print_linear_residuals = true + csv = true + exodus = true +[] + +[Debug] + show_var_residual_norms = true +[] + +#[MultiApps] +# [./loopApp] +# type = TransientMultiApp +# app_type = MoltresApp +# execute_on = timestep_begin +# positions = '100.0 100.0 0.0' +# input_files = 'sub.i' +# [../] +#[] \ No newline at end of file diff --git a/examples/MSRE_moltres/publication_basis/sub.i b/examples/MSRE_moltres/publication_basis/sub.i new file mode 100644 index 00000000..9deb2883 --- /dev/null +++ b/examples/MSRE_moltres/publication_basis/sub.i @@ -0,0 +1,208 @@ +flow_velocity=18.06 # cm/s. See MSRE-properties.ods + +[GlobalParams] + num_groups = 4 + num_precursor_groups = 6 + group_fluxes = '0 0 0 0' + temperature = temp + sss2_input = true + # pre_concs = 'pre1 pre2 pre3 pre4 pre5 pre6' + # account_delayed = true +[] + +[Mesh] + type = GeneratedMesh + dim = 1 + nx = 600 + xmax = 288.96 + elem_type = EDGE2 +[../] + +[Variables] + [./temp] + initial_condition = 930 #approx steady outlet of other problem + scaling = 1e-4 + family = MONOMIAL + order = CONSTANT + [../] +[] + +[Precursors] + [./core] + var_name_base = pre + outlet_boundaries = 'right' + u_def = ${flow_velocity} + v_def = 0 + w_def = 0 + nt_exp_form = false + family = MONOMIAL + order = CONSTANT + loop_precursors = true + multi_app = loopApp + is_loopapp = true + inlet_boundaries = left + [../] +[] + +[Kernels] + # Temperature + [./temp_time_derivative] + type = MatINSTemperatureTimeDerivative + variable = temp + [../] + # [./temp_source_fuel] + # type = TransientFissionHeatSource + # variable = temp + # nt_scale=${nt_scale} + # [../] + # [./temp_source_mod] + # type = GammaHeatSource + # variable = temp + # gamma = .0144 # Cammi .0144 + # block = 'moder' + # average_fission_heat = 'average_fission_heat' + # [../] + # [./temp_diffusion] + # type = MatDiffusion + # diffusivity = 'k' + # variable = temp + # [../] + # [./temp_advection_fuel] + # type = ConservativeTemperatureAdvection + # velocity = '${flow_velocity} 0 0' + # variable = temp + # [../] +[] + +[DGKernels] + [./temp_adv] + type = DGTemperatureAdvection + variable = temp + velocity = '${flow_velocity} 0 0' + [../] +[] + + + +[BCs] + [./fuel_bottoms_looped] + boundary = 'left' + type = PostprocessorTemperatureInflowBC + postprocessor = coreEndTemp + variable = temp + uu = ${flow_velocity} + [../] + # [./diri] + # boundary = 'left' + # type = DirichletBC + # variable = temp + # value = 930 + # [../] + [./temp_advection_outlet] + boundary = 'right' + type = TemperatureOutflowBC + variable = temp + velocity = '${flow_velocity} 0 0' + [../] +[] + +[Materials] + [fuel] + type = GenericMoltresMaterial + property_tables_root = './data/msre_gentry_4g_fuel_rod0_' + interp_type = 'spline' + block = 'fuel' + prop_names = 'k cp' + prop_values = '.0553 1967' # Robertson MSRE technical report @ 922 K + controller_gain = 0 + [] + [rho_fuel] + type = DerivativeParsedMaterial + property_name = rho + expression = '2.146e-3 * exp(-1.8 * 1.18e-4 * (temp - 922))' + coupled_variables = 'temp' + derivative_order = 1 + block = 'fuel' + [] +[] + +[Executioner] + type = Transient + end_time = 10000 + + nl_rel_tol = 1e-6 + nl_abs_tol = 1e-6 + + solve_type = 'PJFNK' + petsc_options = '-snes_converged_reason -ksp_converged_reason -snes_linesearch_monitor' + petsc_options_iname = '-pc_type' + petsc_options_value = 'lu' + line_search = 'none' + + nl_max_its = 30 + l_max_its = 100 + + dtmin = 1e-5 + # dtmax = 1 + # dt = 1e-3 + [TimeStepper] + type = PostprocessorDT + postprocessor = limit_k + dt = 1e-3 + [] +[] + +[Preconditioning] + [./SMP] + type = SMP + full = true + [../] +[] + +[Postprocessors] + [./temp_fuel] + type = ElementAverageValue + variable = temp + outputs = 'exodus console' + [../] + [./loopEndTemp] + type = SideAverageValue + variable = temp + boundary = 'right' + [../] + [./coreEndTemp] + type = Receiver + [../] +[] + +[Outputs] + perf_graph = true + print_linear_residuals = true + [./exodus] + type = Exodus + file_base = 'sub' + execute_on = 'timestep_begin' + [../] +[] + +[Debug] + show_var_residual_norms = true +[] + +# connect inlet and outlet to multiapp +# [Transfers] +# [./to_core] +# type = MultiAppPostprocessorTransfer +# multi_app = MoltresApp +# from_postprocessor = loopEndTemp +# to_postprocessor = inlet_mean_temp +# direction = to_multiapp +# [../] +# [./from_core] +# type = MultiAppPostprocessorTransfer +# multi_app = MoltresApp +# from_postprocessor = coreEndTemp +# to_postprocessor = coreEndTemp +# direction = to_multiapp +# [../] +# [] From 036902c4b5a84855fff1987282d23e8e1100e056 Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Fri, 15 May 2026 12:12:06 -0500 Subject: [PATCH 248/259] Uncomment DNPs --- .../publication_basis/no_dnp_sim.i | 64 +++++++++---------- 1 file changed, 32 insertions(+), 32 deletions(-) diff --git a/examples/MSRE_moltres/publication_basis/no_dnp_sim.i b/examples/MSRE_moltres/publication_basis/no_dnp_sim.i index 4e8838f4..c8569c4f 100644 --- a/examples/MSRE_moltres/publication_basis/no_dnp_sim.i +++ b/examples/MSRE_moltres/publication_basis/no_dnp_sim.i @@ -23,38 +23,38 @@ H = 162.56 allow_initial_conditions_with_restart = true [] -#[ICs] -# [pre1_zero] -# type = ConstantIC -# variable = pre1 -# value = 0 -# [] -# [pre2_zero] -# type = ConstantIC -# variable = pre2 -# value = 0 -# [] -# [pre3_zero] -# type = ConstantIC -# variable = pre3 -# value = 0 -# [] -# [pre4_zero] -# type = ConstantIC -# variable = pre4 -# value = 0 -# [] -# [pre5_zero] -# type = ConstantIC -# variable = pre5 -# value = 0 -# [] -# [pre6_zero] -# type = ConstantIC -# variable = pre6 -# value = 0 -# [] -#[] +[ICs] + [pre1_zero] + type = ConstantIC + variable = pre1 + value = 0 + [] + [pre2_zero] + type = ConstantIC + variable = pre2 + value = 0 + [] + [pre3_zero] + type = ConstantIC + variable = pre3 + value = 0 + [] + [pre4_zero] + type = ConstantIC + variable = pre4 + value = 0 + [] + [pre5_zero] + type = ConstantIC + variable = pre5 + value = 0 + [] + [pre6_zero] + type = ConstantIC + variable = pre6 + value = 0 + [] +[] [Mesh] coord_type = RZ From 41de82bfdcf9fe35d2633d388b160088098987bf Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Fri, 15 May 2026 12:47:41 -0500 Subject: [PATCH 249/259] Enable recirc --- .../publication_basis/auto_diff_rho.i | 19 +++++++++++++++++-- 1 file changed, 17 insertions(+), 2 deletions(-) diff --git a/examples/MSRE_moltres/publication_basis/auto_diff_rho.i b/examples/MSRE_moltres/publication_basis/auto_diff_rho.i index 88df9158..8df02a23 100644 --- a/examples/MSRE_moltres/publication_basis/auto_diff_rho.i +++ b/examples/MSRE_moltres/publication_basis/auto_diff_rho.i @@ -1,4 +1,4 @@ -flow_velocity = 21.7 # cm/s. See MSRE-properties.ods +flow_velocity = 18.06 # cm/s nt_scale = 1e13 ini_temp = 922 diri_temp = 922 @@ -46,7 +46,10 @@ H = 162.56 v_def = ${flow_velocity} w_def = 0 nt_exp_form = false - loop_precursors = false + loop_precursors = true + multi_app = loopApp + is_loopapp = false + inlet_boundaries = 'fuel_bottoms' family = MONOMIAL order = CONSTANT # jac_test = true @@ -140,6 +143,7 @@ H = 162.56 [] [] + [Materials] [fuel] type = GenericMoltresMaterial @@ -265,8 +269,19 @@ H = 162.56 print_linear_residuals = true csv = true exodus = true + checkpoint = true [] [Debug] show_var_residual_norms = true [] + +[MultiApps] + [./loopApp] + type = TransientMultiApp + app_type = MoltresApp + execute_on = timestep_begin + positions = '100.0 100.0 0.0' + input_files = 'sub.i' + [../] +[] \ No newline at end of file From 228e5731785129c7299eed82fb5c81029e5d2ac1 Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Fri, 15 May 2026 12:49:11 -0500 Subject: [PATCH 250/259] Fix sub file --- examples/MSRE_moltres/publication_basis/sub.i | 17 ++++++++++------- 1 file changed, 10 insertions(+), 7 deletions(-) diff --git a/examples/MSRE_moltres/publication_basis/sub.i b/examples/MSRE_moltres/publication_basis/sub.i index 9deb2883..954bc0b1 100644 --- a/examples/MSRE_moltres/publication_basis/sub.i +++ b/examples/MSRE_moltres/publication_basis/sub.i @@ -1,4 +1,5 @@ flow_velocity=18.06 # cm/s. See MSRE-properties.ods +ini_temp = 922 [GlobalParams] num_groups = 4 @@ -20,7 +21,7 @@ flow_velocity=18.06 # cm/s. See MSRE-properties.ods [Variables] [./temp] - initial_condition = 930 #approx steady outlet of other problem + initial_condition = ${ini_temp} scaling = 1e-4 family = MONOMIAL order = CONSTANT @@ -111,7 +112,7 @@ flow_velocity=18.06 # cm/s. See MSRE-properties.ods type = GenericMoltresMaterial property_tables_root = './data/msre_gentry_4g_fuel_rod0_' interp_type = 'spline' - block = 'fuel' + block = '0' prop_names = 'k cp' prop_values = '.0553 1967' # Robertson MSRE technical report @ 922 K controller_gain = 0 @@ -122,7 +123,7 @@ flow_velocity=18.06 # cm/s. See MSRE-properties.ods expression = '2.146e-3 * exp(-1.8 * 1.18e-4 * (temp - 922))' coupled_variables = 'temp' derivative_order = 1 - block = 'fuel' + block = '0' [] [] @@ -145,11 +146,13 @@ flow_velocity=18.06 # cm/s. See MSRE-properties.ods dtmin = 1e-5 # dtmax = 1 # dt = 1e-3 - [TimeStepper] - type = PostprocessorDT - postprocessor = limit_k + [./TimeStepper] + type = IterationAdaptiveDT dt = 1e-3 - [] + cutback_factor = 0.4 + growth_factor = 1.2 + optimal_iterations = 20 + [../] [] [Preconditioning] From da5469da326596e3671201eb426c706d891d1589 Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Fri, 15 May 2026 15:43:02 -0500 Subject: [PATCH 251/259] Clean up Moltres example --- .../2d_lattice_structured.geo | 0 .../2d_lattice_structured.msh | 0 .../{publication_basis => }/auto_diff_rho.i | 5 +- .../msre_gentry_4g_fuel_rod0_BETA_EFF.txt | 15 + ...msre_gentry_4g_fuel_rod0_BETA_EFF_MSBR.txt | 15 + ...e_gentry_4g_fuel_rod0_BETA_EFF_MSBR_12.txt | 15 + ...msre_gentry_4g_fuel_rod0_BETA_EFF_MSRE.txt | 15 + ...e_gentry_4g_fuel_rod0_BETA_EFF_MSRE_12.txt | 15 + ...msre_gentry_4g_fuel_rod0_BETA_EFF_none.txt | 15 + .../data/msre_gentry_4g_fuel_rod0_CHID.txt | 0 .../data/msre_gentry_4g_fuel_rod0_CHIP.txt | 0 .../data/msre_gentry_4g_fuel_rod0_CHIT.txt | 0 .../msre_gentry_4g_fuel_rod0_DIFFCOEF.txt | 0 .../data/msre_gentry_4g_fuel_rod0_FISS.txt | 0 .../data/msre_gentry_4g_fuel_rod0_FISSE.txt | 15 + .../data/msre_gentry_4g_fuel_rod0_FISSXS.txt | 15 + .../data/msre_gentry_4g_fuel_rod0_FLX.txt | 0 .../data/msre_gentry_4g_fuel_rod0_INVV.txt | 0 .../data/msre_gentry_4g_fuel_rod0_KAPPA.txt | 0 .../data/msre_gentry_4g_fuel_rod0_LAMBDA.txt | 15 + .../msre_gentry_4g_fuel_rod0_LAMBDA_MSBR.txt | 15 + ...sre_gentry_4g_fuel_rod0_LAMBDA_MSBR_12.txt | 15 + .../msre_gentry_4g_fuel_rod0_LAMBDA_MSRE.txt | 15 + ...sre_gentry_4g_fuel_rod0_LAMBDA_MSRE_12.txt | 15 + .../msre_gentry_4g_fuel_rod0_LAMBDA_none.txt | 15 + .../data/msre_gentry_4g_fuel_rod0_NSF.txt | 0 .../data/msre_gentry_4g_fuel_rod0_NUBAR.txt | 0 .../msre_gentry_4g_fuel_rod0_RECIPVEL.txt | 15 + .../data/msre_gentry_4g_fuel_rod0_REMXS.txt | 0 .../data/msre_gentry_4g_fuel_rod0_SP0.txt | 0 .../msre_gentry_4g_moder_rod0_BETA_EFF.txt | 14 + ...msre_gentry_4g_moder_rod0_BETA_EFF_6g.txt} | 0 .../data/msre_gentry_4g_moder_rod0_CHID.txt | 0 .../data/msre_gentry_4g_moder_rod0_CHIP.txt | 0 .../data/msre_gentry_4g_moder_rod0_CHIT.txt | 0 .../msre_gentry_4g_moder_rod0_DIFFCOEF.txt | 0 .../data/msre_gentry_4g_moder_rod0_FISS.txt | 0 .../data/msre_gentry_4g_moder_rod0_FLX.txt | 0 .../data/msre_gentry_4g_moder_rod0_INVV.txt | 0 .../data/msre_gentry_4g_moder_rod0_KAPPA.txt | 0 .../data/msre_gentry_4g_moder_rod0_LAMBDA.txt | 14 + .../msre_gentry_4g_moder_rod0_LAMBDA_6g.txt} | 0 .../data/msre_gentry_4g_moder_rod0_NSF.txt | 0 .../data/msre_gentry_4g_moder_rod0_NUBAR.txt | 0 .../data/msre_gentry_4g_moder_rod0_REMXS.txt | 0 .../data/msre_gentry_4g_moder_rod0_SP0.txt | 0 .../{publication_basis => }/no_dnp_sim.i | 35 ++- .../publication_basis/4group_eigen.i | 83 ------ .../msre_gentry_4g_fuel_rod0_BETA_EFF.txt | 15 - .../data/msre_gentry_4g_fuel_rod0_LAMBDA.txt | 15 - .../publication_basis/eigen_eval.i | 231 --------------- 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.../NEWT_APPROACH/newt_msre_mod_FISSXS.txt | 3 - .../NEWT_APPROACH/newt_msre_mod_FLUX.txt | 3 - .../NEWT_APPROACH/newt_msre_mod_GTRANSFXS.txt | 3 - .../NEWT_APPROACH/newt_msre_mod_NSF.txt | 3 - .../NEWT_APPROACH/newt_msre_mod_NUBAR.txt | 3 - .../NEWT_APPROACH/newt_msre_mod_RECIPVEL.txt | 3 - .../NEWT_APPROACH/newt_msre_mod_REMXS.txt | 3 - .../NEWT_APPROACH/precursor_dist_calc.i | 267 ------------------ .../work_in_progress/NEWT_APPROACH/sub.i | 215 -------------- .../MSRE_moltres/work_in_progress/README.md | 24 -- .../work_in_progress/eigen_eval.i | 249 ---------------- examples/MSRE_moltres/work_in_progress/mesh.e | Bin 96556 -> 0 bytes examples/MSRE_moltres/work_in_progress/mesh.i | 119 -------- .../openmc/lattice-openmc-1200.py | 111 -------- .../openmc/lattice-openmc-900.py | 111 -------- .../work_in_progress/openmc/xsdata.inp | 21 -- .../work_in_progress/precursor_dist_calc.i | 266 ----------------- examples/MSRE_moltres/work_in_progress/sub.i | 216 -------------- .../MSRE_moltres/work_in_progress/xsdata.json | 254 ----------------- .../work_in_progress/xsdata_mod.json | 254 ----------------- .../work_in_progress/xsdata_noDNP.json | 244 ---------------- 92 files changed, 290 insertions(+), 3018 deletions(-) rename examples/MSRE_moltres/{publication_basis => }/2d_lattice_structured.geo (100%) rename examples/MSRE_moltres/{publication_basis => }/2d_lattice_structured.msh (100%) rename examples/MSRE_moltres/{publication_basis => }/auto_diff_rho.i (97%) create mode 100644 examples/MSRE_moltres/data/msre_gentry_4g_fuel_rod0_BETA_EFF.txt create mode 100644 examples/MSRE_moltres/data/msre_gentry_4g_fuel_rod0_BETA_EFF_MSBR.txt create mode 100644 examples/MSRE_moltres/data/msre_gentry_4g_fuel_rod0_BETA_EFF_MSBR_12.txt create mode 100644 examples/MSRE_moltres/data/msre_gentry_4g_fuel_rod0_BETA_EFF_MSRE.txt create mode 100644 examples/MSRE_moltres/data/msre_gentry_4g_fuel_rod0_BETA_EFF_MSRE_12.txt create mode 100644 examples/MSRE_moltres/data/msre_gentry_4g_fuel_rod0_BETA_EFF_none.txt rename examples/MSRE_moltres/{publication_basis => }/data/msre_gentry_4g_fuel_rod0_CHID.txt (100%) rename examples/MSRE_moltres/{publication_basis => }/data/msre_gentry_4g_fuel_rod0_CHIP.txt (100%) rename examples/MSRE_moltres/{publication_basis => }/data/msre_gentry_4g_fuel_rod0_CHIT.txt (100%) rename examples/MSRE_moltres/{publication_basis => }/data/msre_gentry_4g_fuel_rod0_DIFFCOEF.txt (100%) rename examples/MSRE_moltres/{publication_basis => }/data/msre_gentry_4g_fuel_rod0_FISS.txt (100%) create mode 100644 examples/MSRE_moltres/data/msre_gentry_4g_fuel_rod0_FISSE.txt create mode 100644 examples/MSRE_moltres/data/msre_gentry_4g_fuel_rod0_FISSXS.txt rename examples/MSRE_moltres/{publication_basis => }/data/msre_gentry_4g_fuel_rod0_FLX.txt (100%) rename examples/MSRE_moltres/{publication_basis => }/data/msre_gentry_4g_fuel_rod0_INVV.txt (100%) rename examples/MSRE_moltres/{publication_basis => }/data/msre_gentry_4g_fuel_rod0_KAPPA.txt (100%) create mode 100644 examples/MSRE_moltres/data/msre_gentry_4g_fuel_rod0_LAMBDA.txt create mode 100644 examples/MSRE_moltres/data/msre_gentry_4g_fuel_rod0_LAMBDA_MSBR.txt create mode 100644 examples/MSRE_moltres/data/msre_gentry_4g_fuel_rod0_LAMBDA_MSBR_12.txt create mode 100644 examples/MSRE_moltres/data/msre_gentry_4g_fuel_rod0_LAMBDA_MSRE.txt create mode 100644 examples/MSRE_moltres/data/msre_gentry_4g_fuel_rod0_LAMBDA_MSRE_12.txt create mode 100644 examples/MSRE_moltres/data/msre_gentry_4g_fuel_rod0_LAMBDA_none.txt rename examples/MSRE_moltres/{publication_basis => }/data/msre_gentry_4g_fuel_rod0_NSF.txt (100%) rename examples/MSRE_moltres/{publication_basis => }/data/msre_gentry_4g_fuel_rod0_NUBAR.txt (100%) create mode 100644 examples/MSRE_moltres/data/msre_gentry_4g_fuel_rod0_RECIPVEL.txt rename examples/MSRE_moltres/{publication_basis => }/data/msre_gentry_4g_fuel_rod0_REMXS.txt (100%) rename examples/MSRE_moltres/{publication_basis => }/data/msre_gentry_4g_fuel_rod0_SP0.txt (100%) create mode 100644 examples/MSRE_moltres/data/msre_gentry_4g_moder_rod0_BETA_EFF.txt rename examples/MSRE_moltres/{publication_basis/data/msre_gentry_4g_moder_rod0_BETA_EFF.txt => data/msre_gentry_4g_moder_rod0_BETA_EFF_6g.txt} (100%) rename examples/MSRE_moltres/{publication_basis => }/data/msre_gentry_4g_moder_rod0_CHID.txt (100%) rename examples/MSRE_moltres/{publication_basis => }/data/msre_gentry_4g_moder_rod0_CHIP.txt (100%) rename examples/MSRE_moltres/{publication_basis => }/data/msre_gentry_4g_moder_rod0_CHIT.txt (100%) rename examples/MSRE_moltres/{publication_basis => }/data/msre_gentry_4g_moder_rod0_DIFFCOEF.txt (100%) rename examples/MSRE_moltres/{publication_basis => }/data/msre_gentry_4g_moder_rod0_FISS.txt (100%) rename examples/MSRE_moltres/{publication_basis => }/data/msre_gentry_4g_moder_rod0_FLX.txt (100%) rename examples/MSRE_moltres/{publication_basis => }/data/msre_gentry_4g_moder_rod0_INVV.txt (100%) rename examples/MSRE_moltres/{publication_basis => }/data/msre_gentry_4g_moder_rod0_KAPPA.txt (100%) create mode 100644 examples/MSRE_moltres/data/msre_gentry_4g_moder_rod0_LAMBDA.txt rename examples/MSRE_moltres/{publication_basis/data/msre_gentry_4g_moder_rod0_LAMBDA.txt => data/msre_gentry_4g_moder_rod0_LAMBDA_6g.txt} (100%) rename examples/MSRE_moltres/{publication_basis => }/data/msre_gentry_4g_moder_rod0_NSF.txt (100%) rename examples/MSRE_moltres/{publication_basis => }/data/msre_gentry_4g_moder_rod0_NUBAR.txt (100%) rename examples/MSRE_moltres/{publication_basis => }/data/msre_gentry_4g_moder_rod0_REMXS.txt (100%) rename examples/MSRE_moltres/{publication_basis => }/data/msre_gentry_4g_moder_rod0_SP0.txt (100%) rename examples/MSRE_moltres/{publication_basis => }/no_dnp_sim.i (91%) delete mode 100644 examples/MSRE_moltres/publication_basis/4group_eigen.i delete mode 100644 examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_fuel_rod0_BETA_EFF.txt delete mode 100644 examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_fuel_rod0_LAMBDA.txt delete mode 100644 examples/MSRE_moltres/publication_basis/eigen_eval.i rename examples/MSRE_moltres/{publication_basis => }/sub.i (99%) delete mode 100644 examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/eigen_eval.i delete mode 100644 examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/mesh.e delete mode 100644 examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_fuel_BETA_EFF.txt delete mode 100644 examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_fuel_CHI.txt delete mode 100644 examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_fuel_DECAY_CONSTANT.txt delete mode 100644 examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_fuel_DIFFCOEF.txt delete mode 100644 examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_fuel_FISSE.txt delete mode 100644 examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_fuel_FISSXS.txt delete mode 100644 examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_fuel_FLUX.txt delete mode 100644 examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_fuel_GTRANSFXS.txt delete mode 100644 examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_fuel_NSF.txt delete mode 100644 examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_fuel_NUBAR.txt delete mode 100644 examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_fuel_RECIPVEL.txt delete mode 100644 examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_fuel_REMXS.txt delete mode 100644 examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_mod_BETA_EFF.txt delete mode 100644 examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_mod_CHI.txt delete mode 100644 examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_mod_DECAY_CONSTANT.txt delete mode 100644 examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_mod_DIFFCOEF.txt delete mode 100644 examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_mod_FISSE.txt delete mode 100644 examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_mod_FISSXS.txt delete mode 100644 examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_mod_FLUX.txt delete mode 100644 examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_mod_GTRANSFXS.txt delete mode 100644 examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_mod_NSF.txt delete mode 100644 examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_mod_NUBAR.txt delete mode 100644 examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_mod_RECIPVEL.txt delete mode 100644 examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_mod_REMXS.txt delete mode 100644 examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/precursor_dist_calc.i delete mode 100644 examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/sub.i delete mode 100644 examples/MSRE_moltres/work_in_progress/README.md delete mode 100644 examples/MSRE_moltres/work_in_progress/eigen_eval.i delete mode 100644 examples/MSRE_moltres/work_in_progress/mesh.e delete mode 100644 examples/MSRE_moltres/work_in_progress/mesh.i delete mode 100644 examples/MSRE_moltres/work_in_progress/openmc/lattice-openmc-1200.py delete mode 100644 examples/MSRE_moltres/work_in_progress/openmc/lattice-openmc-900.py delete mode 100644 examples/MSRE_moltres/work_in_progress/openmc/xsdata.inp delete mode 100644 examples/MSRE_moltres/work_in_progress/precursor_dist_calc.i delete mode 100644 examples/MSRE_moltres/work_in_progress/sub.i delete mode 100644 examples/MSRE_moltres/work_in_progress/xsdata.json delete mode 100644 examples/MSRE_moltres/work_in_progress/xsdata_mod.json delete mode 100644 examples/MSRE_moltres/work_in_progress/xsdata_noDNP.json diff --git a/examples/MSRE_moltres/publication_basis/2d_lattice_structured.geo b/examples/MSRE_moltres/2d_lattice_structured.geo similarity index 100% rename from examples/MSRE_moltres/publication_basis/2d_lattice_structured.geo rename to examples/MSRE_moltres/2d_lattice_structured.geo diff --git a/examples/MSRE_moltres/publication_basis/2d_lattice_structured.msh b/examples/MSRE_moltres/2d_lattice_structured.msh similarity index 100% rename from examples/MSRE_moltres/publication_basis/2d_lattice_structured.msh rename to examples/MSRE_moltres/2d_lattice_structured.msh diff --git a/examples/MSRE_moltres/publication_basis/auto_diff_rho.i b/examples/MSRE_moltres/auto_diff_rho.i similarity index 97% rename from examples/MSRE_moltres/publication_basis/auto_diff_rho.i rename to examples/MSRE_moltres/auto_diff_rho.i index 8df02a23..241bd821 100644 --- a/examples/MSRE_moltres/publication_basis/auto_diff_rho.i +++ b/examples/MSRE_moltres/auto_diff_rho.i @@ -8,12 +8,13 @@ H = 162.56 [GlobalParams] num_groups = 4 - num_precursor_groups = 6 + num_precursor_groups = 12 use_exp_form = false group_fluxes = 'group1 group2 group3 group4' temperature = temp sss2_input = true - pre_concs = 'pre1 pre2 pre3 pre4 pre5 pre6' + #pre_concs = 'pre1 pre2 pre3 pre4 pre5 pre6' + pre_concs = 'pre1 pre2 pre3 pre4 pre5 pre6 pre7 pre8 pre9 pre10 pre11 pre12' account_delayed = true nt_scale = ${nt_scale} [] diff --git a/examples/MSRE_moltres/data/msre_gentry_4g_fuel_rod0_BETA_EFF.txt b/examples/MSRE_moltres/data/msre_gentry_4g_fuel_rod0_BETA_EFF.txt new file mode 100644 index 00000000..f9de9e48 --- /dev/null +++ b/examples/MSRE_moltres/data/msre_gentry_4g_fuel_rod0_BETA_EFF.txt @@ -0,0 +1,15 @@ +633.0 0.0002248862803 0.001037860683 0.0005481117594 0.0001913575723 0.0008497808577 0.0008031321729 0.001583874968 0.0004194913551 0.0003321795958 0.0004200539002 0.0001425410387 2.16E-06 +700.0 0.0002248862803 0.001037860683 0.0005481117594 0.0001913575723 0.0008497808577 0.0008031321729 0.001583874968 0.0004194913551 0.0003321795958 0.0004200539002 0.0001425410387 2.16E-06 +800.0 0.0002248862803 0.001037860683 0.0005481117594 0.0001913575723 0.0008497808577 0.0008031321729 0.001583874968 0.0004194913551 0.0003321795958 0.0004200539002 0.0001425410387 2.16E-06 +900.0 0.0002248862803 0.001037860683 0.0005481117594 0.0001913575723 0.0008497808577 0.0008031321729 0.001583874968 0.0004194913551 0.0003321795958 0.0004200539002 0.0001425410387 2.16E-06 +1000.0 0.0002248862803 0.001037860683 0.0005481117594 0.0001913575723 0.0008497808577 0.0008031321729 0.001583874968 0.0004194913551 0.0003321795958 0.0004200539002 0.0001425410387 2.16E-06 +1100.0 0.0002248862803 0.001037860683 0.0005481117594 0.0001913575723 0.0008497808577 0.0008031321729 0.001583874968 0.0004194913551 0.0003321795958 0.0004200539002 0.0001425410387 2.16E-06 +1200.0 0.0002248862803 0.001037860683 0.0005481117594 0.0001913575723 0.0008497808577 0.0008031321729 0.001583874968 0.0004194913551 0.0003321795958 0.0004200539002 0.0001425410387 2.16E-06 +1300.0 0.0002248862803 0.001037860683 0.0005481117594 0.0001913575723 0.0008497808577 0.0008031321729 0.001583874968 0.0004194913551 0.0003321795958 0.0004200539002 0.0001425410387 2.16E-06 +1400.0 0.0002248862803 0.001037860683 0.0005481117594 0.0001913575723 0.0008497808577 0.0008031321729 0.001583874968 0.0004194913551 0.0003321795958 0.0004200539002 0.0001425410387 2.16E-06 +1500.0 0.0002248862803 0.001037860683 0.0005481117594 0.0001913575723 0.0008497808577 0.0008031321729 0.001583874968 0.0004194913551 0.0003321795958 0.0004200539002 0.0001425410387 2.16E-06 +1600.0 0.0002248862803 0.001037860683 0.0005481117594 0.0001913575723 0.0008497808577 0.0008031321729 0.001583874968 0.0004194913551 0.0003321795958 0.0004200539002 0.0001425410387 2.16E-06 +1700.0 0.0002248862803 0.001037860683 0.0005481117594 0.0001913575723 0.0008497808577 0.0008031321729 0.001583874968 0.0004194913551 0.0003321795958 0.0004200539002 0.0001425410387 2.16E-06 +1800.0 0.0002248862803 0.001037860683 0.0005481117594 0.0001913575723 0.0008497808577 0.0008031321729 0.001583874968 0.0004194913551 0.0003321795958 0.0004200539002 0.0001425410387 2.16E-06 +1900.0 0.0002248862803 0.001037860683 0.0005481117594 0.0001913575723 0.0008497808577 0.0008031321729 0.001583874968 0.0004194913551 0.0003321795958 0.0004200539002 0.0001425410387 2.16E-06 +2000.0 0.0002248862803 0.001037860683 0.0005481117594 0.0001913575723 0.0008497808577 0.0008031321729 0.001583874968 0.0004194913551 0.0003321795958 0.0004200539002 0.0001425410387 2.16E-06 diff --git a/examples/MSRE_moltres/data/msre_gentry_4g_fuel_rod0_BETA_EFF_MSBR.txt b/examples/MSRE_moltres/data/msre_gentry_4g_fuel_rod0_BETA_EFF_MSBR.txt new file mode 100644 index 00000000..ffc932f4 --- /dev/null +++ b/examples/MSRE_moltres/data/msre_gentry_4g_fuel_rod0_BETA_EFF_MSBR.txt @@ -0,0 +1,15 @@ +633.0 0.0002202316119 0.001226207162 0.0005237068275 0.001912697316 0.00188884428 0.0007563925309 +700.0 0.0002202316119 0.001226207162 0.0005237068275 0.001912697316 0.00188884428 0.0007563925309 +800.0 0.0002202316119 0.001226207162 0.0005237068275 0.001912697316 0.00188884428 0.0007563925309 +900.0 0.0002202316119 0.001226207162 0.0005237068275 0.001912697316 0.00188884428 0.0007563925309 +1000.0 0.0002202316119 0.001226207162 0.0005237068275 0.001912697316 0.00188884428 0.0007563925309 +1100.0 0.0002202316119 0.001226207162 0.0005237068275 0.001912697316 0.00188884428 0.0007563925309 +1200.0 0.0002202316119 0.001226207162 0.0005237068275 0.001912697316 0.00188884428 0.0007563925309 +1300.0 0.0002202316119 0.001226207162 0.0005237068275 0.001912697316 0.00188884428 0.0007563925309 +1400.0 0.0002202316119 0.001226207162 0.0005237068275 0.001912697316 0.00188884428 0.0007563925309 +1500.0 0.0002202316119 0.001226207162 0.0005237068275 0.001912697316 0.00188884428 0.0007563925309 +1600.0 0.0002202316119 0.001226207162 0.0005237068275 0.001912697316 0.00188884428 0.0007563925309 +1700.0 0.0002202316119 0.001226207162 0.0005237068275 0.001912697316 0.00188884428 0.0007563925309 +1800.0 0.0002202316119 0.001226207162 0.0005237068275 0.001912697316 0.00188884428 0.0007563925309 +1900.0 0.0002202316119 0.001226207162 0.0005237068275 0.001912697316 0.00188884428 0.0007563925309 +2000.0 0.0002202316119 0.001226207162 0.0005237068275 0.001912697316 0.00188884428 0.0007563925309 diff --git a/examples/MSRE_moltres/data/msre_gentry_4g_fuel_rod0_BETA_EFF_MSBR_12.txt b/examples/MSRE_moltres/data/msre_gentry_4g_fuel_rod0_BETA_EFF_MSBR_12.txt new file mode 100644 index 00000000..93ad519c --- /dev/null +++ b/examples/MSRE_moltres/data/msre_gentry_4g_fuel_rod0_BETA_EFF_MSBR_12.txt @@ -0,0 +1,15 @@ +633.0 0.0002180008874 0.001034098378 0.0005371851219 0.0003524146681 0.0007938891422 0.0008577462761 0.001495857397 0.0003694396399 0.0003321049816 0.000402800103 0.0001400900741 1.95E-06 +700.0 0.0002180008874 0.001034098378 0.0005371851219 0.0003524146681 0.0007938891422 0.0008577462761 0.001495857397 0.0003694396399 0.0003321049816 0.000402800103 0.0001400900741 1.95E-06 +800.0 0.0002180008874 0.001034098378 0.0005371851219 0.0003524146681 0.0007938891422 0.0008577462761 0.001495857397 0.0003694396399 0.0003321049816 0.000402800103 0.0001400900741 1.95E-06 +900.0 0.0002180008874 0.001034098378 0.0005371851219 0.0003524146681 0.0007938891422 0.0008577462761 0.001495857397 0.0003694396399 0.0003321049816 0.000402800103 0.0001400900741 1.95E-06 +1000.0 0.0002180008874 0.001034098378 0.0005371851219 0.0003524146681 0.0007938891422 0.0008577462761 0.001495857397 0.0003694396399 0.0003321049816 0.000402800103 0.0001400900741 1.95E-06 +1100.0 0.0002180008874 0.001034098378 0.0005371851219 0.0003524146681 0.0007938891422 0.0008577462761 0.001495857397 0.0003694396399 0.0003321049816 0.000402800103 0.0001400900741 1.95E-06 +1200.0 0.0002180008874 0.001034098378 0.0005371851219 0.0003524146681 0.0007938891422 0.0008577462761 0.001495857397 0.0003694396399 0.0003321049816 0.000402800103 0.0001400900741 1.95E-06 +1300.0 0.0002180008874 0.001034098378 0.0005371851219 0.0003524146681 0.0007938891422 0.0008577462761 0.001495857397 0.0003694396399 0.0003321049816 0.000402800103 0.0001400900741 1.95E-06 +1400.0 0.0002180008874 0.001034098378 0.0005371851219 0.0003524146681 0.0007938891422 0.0008577462761 0.001495857397 0.0003694396399 0.0003321049816 0.000402800103 0.0001400900741 1.95E-06 +1500.0 0.0002180008874 0.001034098378 0.0005371851219 0.0003524146681 0.0007938891422 0.0008577462761 0.001495857397 0.0003694396399 0.0003321049816 0.000402800103 0.0001400900741 1.95E-06 +1600.0 0.0002180008874 0.001034098378 0.0005371851219 0.0003524146681 0.0007938891422 0.0008577462761 0.001495857397 0.0003694396399 0.0003321049816 0.000402800103 0.0001400900741 1.95E-06 +1700.0 0.0002180008874 0.001034098378 0.0005371851219 0.0003524146681 0.0007938891422 0.0008577462761 0.001495857397 0.0003694396399 0.0003321049816 0.000402800103 0.0001400900741 1.95E-06 +1800.0 0.0002180008874 0.001034098378 0.0005371851219 0.0003524146681 0.0007938891422 0.0008577462761 0.001495857397 0.0003694396399 0.0003321049816 0.000402800103 0.0001400900741 1.95E-06 +1900.0 0.0002180008874 0.001034098378 0.0005371851219 0.0003524146681 0.0007938891422 0.0008577462761 0.001495857397 0.0003694396399 0.0003321049816 0.000402800103 0.0001400900741 1.95E-06 +2000.0 0.0002180008874 0.001034098378 0.0005371851219 0.0003524146681 0.0007938891422 0.0008577462761 0.001495857397 0.0003694396399 0.0003321049816 0.000402800103 0.0001400900741 1.95E-06 diff --git a/examples/MSRE_moltres/data/msre_gentry_4g_fuel_rod0_BETA_EFF_MSRE.txt b/examples/MSRE_moltres/data/msre_gentry_4g_fuel_rod0_BETA_EFF_MSRE.txt new file mode 100644 index 00000000..ad0019cc --- /dev/null +++ b/examples/MSRE_moltres/data/msre_gentry_4g_fuel_rod0_BETA_EFF_MSRE.txt @@ -0,0 +1,15 @@ +633.0 0.0002271600905 0.001232578903 0.0005297895973 0.001911231171 0.001895768923 0.0007559737879 +700.0 0.0002271600905 0.001232578903 0.0005297895973 0.001911231171 0.001895768923 0.0007559737879 +800.0 0.0002271600905 0.001232578903 0.0005297895973 0.001911231171 0.001895768923 0.0007559737879 +900.0 0.0002271600905 0.001232578903 0.0005297895973 0.001911231171 0.001895768923 0.0007559737879 +1000.0 0.0002271600905 0.001232578903 0.0005297895973 0.001911231171 0.001895768923 0.0007559737879 +1100.0 0.0002271600905 0.001232578903 0.0005297895973 0.001911231171 0.001895768923 0.0007559737879 +1200.0 0.0002271600905 0.001232578903 0.0005297895973 0.001911231171 0.001895768923 0.0007559737879 +1300.0 0.0002271600905 0.001232578903 0.0005297895973 0.001911231171 0.001895768923 0.0007559737879 +1400.0 0.0002271600905 0.001232578903 0.0005297895973 0.001911231171 0.001895768923 0.0007559737879 +1500.0 0.0002271600905 0.001232578903 0.0005297895973 0.001911231171 0.001895768923 0.0007559737879 +1600.0 0.0002271600905 0.001232578903 0.0005297895973 0.001911231171 0.001895768923 0.0007559737879 +1700.0 0.0002271600905 0.001232578903 0.0005297895973 0.001911231171 0.001895768923 0.0007559737879 +1800.0 0.0002271600905 0.001232578903 0.0005297895973 0.001911231171 0.001895768923 0.0007559737879 +1900.0 0.0002271600905 0.001232578903 0.0005297895973 0.001911231171 0.001895768923 0.0007559737879 +2000.0 0.0002271600905 0.001232578903 0.0005297895973 0.001911231171 0.001895768923 0.0007559737879 diff --git a/examples/MSRE_moltres/data/msre_gentry_4g_fuel_rod0_BETA_EFF_MSRE_12.txt b/examples/MSRE_moltres/data/msre_gentry_4g_fuel_rod0_BETA_EFF_MSRE_12.txt new file mode 100644 index 00000000..f9de9e48 --- /dev/null +++ b/examples/MSRE_moltres/data/msre_gentry_4g_fuel_rod0_BETA_EFF_MSRE_12.txt @@ -0,0 +1,15 @@ +633.0 0.0002248862803 0.001037860683 0.0005481117594 0.0001913575723 0.0008497808577 0.0008031321729 0.001583874968 0.0004194913551 0.0003321795958 0.0004200539002 0.0001425410387 2.16E-06 +700.0 0.0002248862803 0.001037860683 0.0005481117594 0.0001913575723 0.0008497808577 0.0008031321729 0.001583874968 0.0004194913551 0.0003321795958 0.0004200539002 0.0001425410387 2.16E-06 +800.0 0.0002248862803 0.001037860683 0.0005481117594 0.0001913575723 0.0008497808577 0.0008031321729 0.001583874968 0.0004194913551 0.0003321795958 0.0004200539002 0.0001425410387 2.16E-06 +900.0 0.0002248862803 0.001037860683 0.0005481117594 0.0001913575723 0.0008497808577 0.0008031321729 0.001583874968 0.0004194913551 0.0003321795958 0.0004200539002 0.0001425410387 2.16E-06 +1000.0 0.0002248862803 0.001037860683 0.0005481117594 0.0001913575723 0.0008497808577 0.0008031321729 0.001583874968 0.0004194913551 0.0003321795958 0.0004200539002 0.0001425410387 2.16E-06 +1100.0 0.0002248862803 0.001037860683 0.0005481117594 0.0001913575723 0.0008497808577 0.0008031321729 0.001583874968 0.0004194913551 0.0003321795958 0.0004200539002 0.0001425410387 2.16E-06 +1200.0 0.0002248862803 0.001037860683 0.0005481117594 0.0001913575723 0.0008497808577 0.0008031321729 0.001583874968 0.0004194913551 0.0003321795958 0.0004200539002 0.0001425410387 2.16E-06 +1300.0 0.0002248862803 0.001037860683 0.0005481117594 0.0001913575723 0.0008497808577 0.0008031321729 0.001583874968 0.0004194913551 0.0003321795958 0.0004200539002 0.0001425410387 2.16E-06 +1400.0 0.0002248862803 0.001037860683 0.0005481117594 0.0001913575723 0.0008497808577 0.0008031321729 0.001583874968 0.0004194913551 0.0003321795958 0.0004200539002 0.0001425410387 2.16E-06 +1500.0 0.0002248862803 0.001037860683 0.0005481117594 0.0001913575723 0.0008497808577 0.0008031321729 0.001583874968 0.0004194913551 0.0003321795958 0.0004200539002 0.0001425410387 2.16E-06 +1600.0 0.0002248862803 0.001037860683 0.0005481117594 0.0001913575723 0.0008497808577 0.0008031321729 0.001583874968 0.0004194913551 0.0003321795958 0.0004200539002 0.0001425410387 2.16E-06 +1700.0 0.0002248862803 0.001037860683 0.0005481117594 0.0001913575723 0.0008497808577 0.0008031321729 0.001583874968 0.0004194913551 0.0003321795958 0.0004200539002 0.0001425410387 2.16E-06 +1800.0 0.0002248862803 0.001037860683 0.0005481117594 0.0001913575723 0.0008497808577 0.0008031321729 0.001583874968 0.0004194913551 0.0003321795958 0.0004200539002 0.0001425410387 2.16E-06 +1900.0 0.0002248862803 0.001037860683 0.0005481117594 0.0001913575723 0.0008497808577 0.0008031321729 0.001583874968 0.0004194913551 0.0003321795958 0.0004200539002 0.0001425410387 2.16E-06 +2000.0 0.0002248862803 0.001037860683 0.0005481117594 0.0001913575723 0.0008497808577 0.0008031321729 0.001583874968 0.0004194913551 0.0003321795958 0.0004200539002 0.0001425410387 2.16E-06 diff --git a/examples/MSRE_moltres/data/msre_gentry_4g_fuel_rod0_BETA_EFF_none.txt b/examples/MSRE_moltres/data/msre_gentry_4g_fuel_rod0_BETA_EFF_none.txt new file mode 100644 index 00000000..6804c0d3 --- /dev/null +++ b/examples/MSRE_moltres/data/msre_gentry_4g_fuel_rod0_BETA_EFF_none.txt @@ -0,0 +1,15 @@ +633.0 0.0002280890545 0.001189342159 0.0005265522558 0.001896784561 0.001973301265 0.0007457344761 +700.0 0.0002280890545 0.001189342159 0.0005265522558 0.001896784561 0.001973301265 0.0007457344761 +800.0 0.0002280890545 0.001189342159 0.0005265522558 0.001896784561 0.001973301265 0.0007457344761 +900.0 0.0002280890545 0.001189342159 0.0005265522558 0.001896784561 0.001973301265 0.0007457344761 +1000.0 0.0002280890545 0.001189342159 0.0005265522558 0.001896784561 0.001973301265 0.0007457344761 +1100.0 0.0002280890545 0.001189342159 0.0005265522558 0.001896784561 0.001973301265 0.0007457344761 +1200.0 0.0002280890545 0.001189342159 0.0005265522558 0.001896784561 0.001973301265 0.0007457344761 +1300.0 0.0002280890545 0.001189342159 0.0005265522558 0.001896784561 0.001973301265 0.0007457344761 +1400.0 0.0002280890545 0.001189342159 0.0005265522558 0.001896784561 0.001973301265 0.0007457344761 +1500.0 0.0002280890545 0.001189342159 0.0005265522558 0.001896784561 0.001973301265 0.0007457344761 +1600.0 0.0002280890545 0.001189342159 0.0005265522558 0.001896784561 0.001973301265 0.0007457344761 +1700.0 0.0002280890545 0.001189342159 0.0005265522558 0.001896784561 0.001973301265 0.0007457344761 +1800.0 0.0002280890545 0.001189342159 0.0005265522558 0.001896784561 0.001973301265 0.0007457344761 +1900.0 0.0002280890545 0.001189342159 0.0005265522558 0.001896784561 0.001973301265 0.0007457344761 +2000.0 0.0002280890545 0.001189342159 0.0005265522558 0.001896784561 0.001973301265 0.0007457344761 diff --git a/examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_fuel_rod0_CHID.txt b/examples/MSRE_moltres/data/msre_gentry_4g_fuel_rod0_CHID.txt similarity index 100% rename from examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_fuel_rod0_CHID.txt rename to examples/MSRE_moltres/data/msre_gentry_4g_fuel_rod0_CHID.txt diff --git a/examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_fuel_rod0_CHIP.txt b/examples/MSRE_moltres/data/msre_gentry_4g_fuel_rod0_CHIP.txt similarity index 100% rename from examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_fuel_rod0_CHIP.txt rename to examples/MSRE_moltres/data/msre_gentry_4g_fuel_rod0_CHIP.txt diff --git a/examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_fuel_rod0_CHIT.txt b/examples/MSRE_moltres/data/msre_gentry_4g_fuel_rod0_CHIT.txt similarity index 100% rename from examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_fuel_rod0_CHIT.txt rename to examples/MSRE_moltres/data/msre_gentry_4g_fuel_rod0_CHIT.txt diff --git a/examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_fuel_rod0_DIFFCOEF.txt b/examples/MSRE_moltres/data/msre_gentry_4g_fuel_rod0_DIFFCOEF.txt similarity index 100% rename from examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_fuel_rod0_DIFFCOEF.txt rename to examples/MSRE_moltres/data/msre_gentry_4g_fuel_rod0_DIFFCOEF.txt diff --git a/examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_fuel_rod0_FISS.txt b/examples/MSRE_moltres/data/msre_gentry_4g_fuel_rod0_FISS.txt similarity index 100% rename from examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_fuel_rod0_FISS.txt rename to examples/MSRE_moltres/data/msre_gentry_4g_fuel_rod0_FISS.txt diff --git a/examples/MSRE_moltres/data/msre_gentry_4g_fuel_rod0_FISSE.txt b/examples/MSRE_moltres/data/msre_gentry_4g_fuel_rod0_FISSE.txt new file mode 100644 index 00000000..76dc90cd --- /dev/null +++ b/examples/MSRE_moltres/data/msre_gentry_4g_fuel_rod0_FISSE.txt @@ -0,0 +1,15 @@ +633.0 193.4 193.4 193.4 193.4 +700.0 193.4 193.4 193.4 193.4 +800.0 193.4 193.4 193.4 193.4 +900.0 193.4 193.4 193.4 193.4 +1000.0 193.4 193.4 193.4 193.4 +1100.0 193.4 193.4 193.4 193.4 +1200.0 193.4 193.4 193.4 193.4 +1300.0 193.4 193.4 193.4 193.4 +1400.0 193.4 193.4 193.4 193.4 +1500.0 193.4 193.4 193.4 193.4 +1600.0 193.4 193.4 193.4 193.4 +1700.0 193.4 193.4 193.4 193.4 +1800.0 193.4 193.4 193.4 193.4 +1900.0 193.4 193.4 193.4 193.4 +2000.0 193.4 193.4 193.4 193.4 diff --git a/examples/MSRE_moltres/data/msre_gentry_4g_fuel_rod0_FISSXS.txt b/examples/MSRE_moltres/data/msre_gentry_4g_fuel_rod0_FISSXS.txt new file mode 100644 index 00000000..efe5fe43 --- /dev/null +++ b/examples/MSRE_moltres/data/msre_gentry_4g_fuel_rod0_FISSXS.txt @@ -0,0 +1,15 @@ +633.0 0.000172839 0.00153527 0.003802 0.0223878 +700.0 0.000170353 0.00151395 0.00374785 0.0219858 +800.0 0.000166715 0.00148267 0.00367501 0.0214045 +900.0 0.000163161 0.00145325 0.00359837 0.0208385 +1000.0 0.00015967 0.00142294 0.00352555 0.0203064 +1100.0 0.000156274 0.00139442 0.00345409 0.0197876 +1200.0 0.000152935 0.00136629 0.00338531 0.0192809 +1300.0 0.000149666 0.00133727 0.00331549 0.0188015 +1400.0 0.000146478 0.00131006 0.00324824 0.0183377 +1500.0 0.000143357 0.00128374 0.0031836 0.0178845 +1600.0 0.00014029 0.00125666 0.00311816 0.0174559 +1700.0 0.000137306 0.00123126 0.00305511 0.0170365 +1800.0 0.000134388 0.00120576 0.00299362 0.0166242 +1900.0 0.000131524 0.0011806 0.00293275 0.016235 +2000.0 0.000128719 0.001156 0.00287479 0.0158518 diff --git a/examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_fuel_rod0_FLX.txt b/examples/MSRE_moltres/data/msre_gentry_4g_fuel_rod0_FLX.txt similarity index 100% rename from examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_fuel_rod0_FLX.txt rename to examples/MSRE_moltres/data/msre_gentry_4g_fuel_rod0_FLX.txt diff --git a/examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_fuel_rod0_INVV.txt b/examples/MSRE_moltres/data/msre_gentry_4g_fuel_rod0_INVV.txt similarity index 100% rename from examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_fuel_rod0_INVV.txt rename to examples/MSRE_moltres/data/msre_gentry_4g_fuel_rod0_INVV.txt diff --git a/examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_fuel_rod0_KAPPA.txt b/examples/MSRE_moltres/data/msre_gentry_4g_fuel_rod0_KAPPA.txt similarity index 100% rename from examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_fuel_rod0_KAPPA.txt rename to examples/MSRE_moltres/data/msre_gentry_4g_fuel_rod0_KAPPA.txt diff --git a/examples/MSRE_moltres/data/msre_gentry_4g_fuel_rod0_LAMBDA.txt b/examples/MSRE_moltres/data/msre_gentry_4g_fuel_rod0_LAMBDA.txt new file mode 100644 index 00000000..96961e08 --- /dev/null +++ b/examples/MSRE_moltres/data/msre_gentry_4g_fuel_rod0_LAMBDA.txt @@ -0,0 +1,15 @@ +633.0 0.01245773099 0.0281906731 0.04214968382 0.1001481469 0.1299596849 0.2068787552 0.3235277585 0.5360679504 1.068601583 1.816408483 3.725978029 8.350099997 +700.0 0.01245773099 0.0281906731 0.04214968382 0.1001481469 0.1299596849 0.2068787552 0.3235277585 0.5360679504 1.068601583 1.816408483 3.725978029 8.350099997 +800.0 0.01245773099 0.0281906731 0.04214968382 0.1001481469 0.1299596849 0.2068787552 0.3235277585 0.5360679504 1.068601583 1.816408483 3.725978029 8.350099997 +900.0 0.01245773099 0.0281906731 0.04214968382 0.1001481469 0.1299596849 0.2068787552 0.3235277585 0.5360679504 1.068601583 1.816408483 3.725978029 8.350099997 +1000.0 0.01245773099 0.0281906731 0.04214968382 0.1001481469 0.1299596849 0.2068787552 0.3235277585 0.5360679504 1.068601583 1.816408483 3.725978029 8.350099997 +1100.0 0.01245773099 0.0281906731 0.04214968382 0.1001481469 0.1299596849 0.2068787552 0.3235277585 0.5360679504 1.068601583 1.816408483 3.725978029 8.350099997 +1200.0 0.01245773099 0.0281906731 0.04214968382 0.1001481469 0.1299596849 0.2068787552 0.3235277585 0.5360679504 1.068601583 1.816408483 3.725978029 8.350099997 +1300.0 0.01245773099 0.0281906731 0.04214968382 0.1001481469 0.1299596849 0.2068787552 0.3235277585 0.5360679504 1.068601583 1.816408483 3.725978029 8.350099997 +1400.0 0.01245773099 0.0281906731 0.04214968382 0.1001481469 0.1299596849 0.2068787552 0.3235277585 0.5360679504 1.068601583 1.816408483 3.725978029 8.350099997 +1500.0 0.01245773099 0.0281906731 0.04214968382 0.1001481469 0.1299596849 0.2068787552 0.3235277585 0.5360679504 1.068601583 1.816408483 3.725978029 8.350099997 +1600.0 0.01245773099 0.0281906731 0.04214968382 0.1001481469 0.1299596849 0.2068787552 0.3235277585 0.5360679504 1.068601583 1.816408483 3.725978029 8.350099997 +1700.0 0.01245773099 0.0281906731 0.04214968382 0.1001481469 0.1299596849 0.2068787552 0.3235277585 0.5360679504 1.068601583 1.816408483 3.725978029 8.350099997 +1800.0 0.01245773099 0.0281906731 0.04214968382 0.1001481469 0.1299596849 0.2068787552 0.3235277585 0.5360679504 1.068601583 1.816408483 3.725978029 8.350099997 +1900.0 0.01245773099 0.0281906731 0.04214968382 0.1001481469 0.1299596849 0.2068787552 0.3235277585 0.5360679504 1.068601583 1.816408483 3.725978029 8.350099997 +2000.0 0.01245773099 0.0281906731 0.04214968382 0.1001481469 0.1299596849 0.2068787552 0.3235277585 0.5360679504 1.068601583 1.816408483 3.725978029 8.350099997 diff --git a/examples/MSRE_moltres/data/msre_gentry_4g_fuel_rod0_LAMBDA_MSBR.txt b/examples/MSRE_moltres/data/msre_gentry_4g_fuel_rod0_LAMBDA_MSBR.txt new file mode 100644 index 00000000..2a247a7e --- /dev/null +++ b/examples/MSRE_moltres/data/msre_gentry_4g_fuel_rod0_LAMBDA_MSBR.txt @@ -0,0 +1,15 @@ +633.0 0.01247621188 0.02903953665 0.05588534059 0.1701704775 0.4081826664 1.955524665 +700.0 0.01247621188 0.02903953665 0.05588534059 0.1701704775 0.4081826664 1.955524665 +800.0 0.01247621188 0.02903953665 0.05588534059 0.1701704775 0.4081826664 1.955524665 +900.0 0.01247621188 0.02903953665 0.05588534059 0.1701704775 0.4081826664 1.955524665 +1000.0 0.01247621188 0.02903953665 0.05588534059 0.1701704775 0.4081826664 1.955524665 +1100.0 0.01247621188 0.02903953665 0.05588534059 0.1701704775 0.4081826664 1.955524665 +1200.0 0.01247621188 0.02903953665 0.05588534059 0.1701704775 0.4081826664 1.955524665 +1300.0 0.01247621188 0.02903953665 0.05588534059 0.1701704775 0.4081826664 1.955524665 +1400.0 0.01247621188 0.02903953665 0.05588534059 0.1701704775 0.4081826664 1.955524665 +1500.0 0.01247621188 0.02903953665 0.05588534059 0.1701704775 0.4081826664 1.955524665 +1600.0 0.01247621188 0.02903953665 0.05588534059 0.1701704775 0.4081826664 1.955524665 +1700.0 0.01247621188 0.02903953665 0.05588534059 0.1701704775 0.4081826664 1.955524665 +1800.0 0.01247621188 0.02903953665 0.05588534059 0.1701704775 0.4081826664 1.955524665 +1900.0 0.01247621188 0.02903953665 0.05588534059 0.1701704775 0.4081826664 1.955524665 +2000.0 0.01247621188 0.02903953665 0.05588534059 0.1701704775 0.4081826664 1.955524665 diff --git a/examples/MSRE_moltres/data/msre_gentry_4g_fuel_rod0_LAMBDA_MSBR_12.txt b/examples/MSRE_moltres/data/msre_gentry_4g_fuel_rod0_LAMBDA_MSBR_12.txt new file mode 100644 index 00000000..91ddecdc --- /dev/null +++ b/examples/MSRE_moltres/data/msre_gentry_4g_fuel_rod0_LAMBDA_MSBR_12.txt @@ -0,0 +1,15 @@ +633.0 0.01245770778 0.02817569629 0.04220356977 0.1061424839 0.1381516779 0.2227765765 0.3351623486 0.5692276254 1.108164082 1.841247497 3.745989227 8.549929919 +700.0 0.01245770778 0.02817569629 0.04220356977 0.1061424839 0.1381516779 0.2227765765 0.3351623486 0.5692276254 1.108164082 1.841247497 3.745989227 8.549929919 +800.0 0.01245770778 0.02817569629 0.04220356977 0.1061424839 0.1381516779 0.2227765765 0.3351623486 0.5692276254 1.108164082 1.841247497 3.745989227 8.549929919 +900.0 0.01245770778 0.02817569629 0.04220356977 0.1061424839 0.1381516779 0.2227765765 0.3351623486 0.5692276254 1.108164082 1.841247497 3.745989227 8.549929919 +1000.0 0.01245770778 0.02817569629 0.04220356977 0.1061424839 0.1381516779 0.2227765765 0.3351623486 0.5692276254 1.108164082 1.841247497 3.745989227 8.549929919 +1100.0 0.01245770778 0.02817569629 0.04220356977 0.1061424839 0.1381516779 0.2227765765 0.3351623486 0.5692276254 1.108164082 1.841247497 3.745989227 8.549929919 +1200.0 0.01245770778 0.02817569629 0.04220356977 0.1061424839 0.1381516779 0.2227765765 0.3351623486 0.5692276254 1.108164082 1.841247497 3.745989227 8.549929919 +1300.0 0.01245770778 0.02817569629 0.04220356977 0.1061424839 0.1381516779 0.2227765765 0.3351623486 0.5692276254 1.108164082 1.841247497 3.745989227 8.549929919 +1400.0 0.01245770778 0.02817569629 0.04220356977 0.1061424839 0.1381516779 0.2227765765 0.3351623486 0.5692276254 1.108164082 1.841247497 3.745989227 8.549929919 +1500.0 0.01245770778 0.02817569629 0.04220356977 0.1061424839 0.1381516779 0.2227765765 0.3351623486 0.5692276254 1.108164082 1.841247497 3.745989227 8.549929919 +1600.0 0.01245770778 0.02817569629 0.04220356977 0.1061424839 0.1381516779 0.2227765765 0.3351623486 0.5692276254 1.108164082 1.841247497 3.745989227 8.549929919 +1700.0 0.01245770778 0.02817569629 0.04220356977 0.1061424839 0.1381516779 0.2227765765 0.3351623486 0.5692276254 1.108164082 1.841247497 3.745989227 8.549929919 +1800.0 0.01245770778 0.02817569629 0.04220356977 0.1061424839 0.1381516779 0.2227765765 0.3351623486 0.5692276254 1.108164082 1.841247497 3.745989227 8.549929919 +1900.0 0.01245770778 0.02817569629 0.04220356977 0.1061424839 0.1381516779 0.2227765765 0.3351623486 0.5692276254 1.108164082 1.841247497 3.745989227 8.549929919 +2000.0 0.01245770778 0.02817569629 0.04220356977 0.1061424839 0.1381516779 0.2227765765 0.3351623486 0.5692276254 1.108164082 1.841247497 3.745989227 8.549929919 diff --git a/examples/MSRE_moltres/data/msre_gentry_4g_fuel_rod0_LAMBDA_MSRE.txt b/examples/MSRE_moltres/data/msre_gentry_4g_fuel_rod0_LAMBDA_MSRE.txt new file mode 100644 index 00000000..b2d5b30d --- /dev/null +++ b/examples/MSRE_moltres/data/msre_gentry_4g_fuel_rod0_LAMBDA_MSRE.txt @@ -0,0 +1,15 @@ +633.0 0.01247570829 0.02904965842 0.05549844307 0.1697265955 0.4077781612 1.957165239 +700.0 0.01247570829 0.02904965842 0.05549844307 0.1697265955 0.4077781612 1.957165239 +800.0 0.01247570829 0.02904965842 0.05549844307 0.1697265955 0.4077781612 1.957165239 +900.0 0.01247570829 0.02904965842 0.05549844307 0.1697265955 0.4077781612 1.957165239 +1000.0 0.01247570829 0.02904965842 0.05549844307 0.1697265955 0.4077781612 1.957165239 +1100.0 0.01247570829 0.02904965842 0.05549844307 0.1697265955 0.4077781612 1.957165239 +1200.0 0.01247570829 0.02904965842 0.05549844307 0.1697265955 0.4077781612 1.957165239 +1300.0 0.01247570829 0.02904965842 0.05549844307 0.1697265955 0.4077781612 1.957165239 +1400.0 0.01247570829 0.02904965842 0.05549844307 0.1697265955 0.4077781612 1.957165239 +1500.0 0.01247570829 0.02904965842 0.05549844307 0.1697265955 0.4077781612 1.957165239 +1600.0 0.01247570829 0.02904965842 0.05549844307 0.1697265955 0.4077781612 1.957165239 +1700.0 0.01247570829 0.02904965842 0.05549844307 0.1697265955 0.4077781612 1.957165239 +1800.0 0.01247570829 0.02904965842 0.05549844307 0.1697265955 0.4077781612 1.957165239 +1900.0 0.01247570829 0.02904965842 0.05549844307 0.1697265955 0.4077781612 1.957165239 +2000.0 0.01247570829 0.02904965842 0.05549844307 0.1697265955 0.4077781612 1.957165239 diff --git a/examples/MSRE_moltres/data/msre_gentry_4g_fuel_rod0_LAMBDA_MSRE_12.txt b/examples/MSRE_moltres/data/msre_gentry_4g_fuel_rod0_LAMBDA_MSRE_12.txt new file mode 100644 index 00000000..96961e08 --- /dev/null +++ b/examples/MSRE_moltres/data/msre_gentry_4g_fuel_rod0_LAMBDA_MSRE_12.txt @@ -0,0 +1,15 @@ +633.0 0.01245773099 0.0281906731 0.04214968382 0.1001481469 0.1299596849 0.2068787552 0.3235277585 0.5360679504 1.068601583 1.816408483 3.725978029 8.350099997 +700.0 0.01245773099 0.0281906731 0.04214968382 0.1001481469 0.1299596849 0.2068787552 0.3235277585 0.5360679504 1.068601583 1.816408483 3.725978029 8.350099997 +800.0 0.01245773099 0.0281906731 0.04214968382 0.1001481469 0.1299596849 0.2068787552 0.3235277585 0.5360679504 1.068601583 1.816408483 3.725978029 8.350099997 +900.0 0.01245773099 0.0281906731 0.04214968382 0.1001481469 0.1299596849 0.2068787552 0.3235277585 0.5360679504 1.068601583 1.816408483 3.725978029 8.350099997 +1000.0 0.01245773099 0.0281906731 0.04214968382 0.1001481469 0.1299596849 0.2068787552 0.3235277585 0.5360679504 1.068601583 1.816408483 3.725978029 8.350099997 +1100.0 0.01245773099 0.0281906731 0.04214968382 0.1001481469 0.1299596849 0.2068787552 0.3235277585 0.5360679504 1.068601583 1.816408483 3.725978029 8.350099997 +1200.0 0.01245773099 0.0281906731 0.04214968382 0.1001481469 0.1299596849 0.2068787552 0.3235277585 0.5360679504 1.068601583 1.816408483 3.725978029 8.350099997 +1300.0 0.01245773099 0.0281906731 0.04214968382 0.1001481469 0.1299596849 0.2068787552 0.3235277585 0.5360679504 1.068601583 1.816408483 3.725978029 8.350099997 +1400.0 0.01245773099 0.0281906731 0.04214968382 0.1001481469 0.1299596849 0.2068787552 0.3235277585 0.5360679504 1.068601583 1.816408483 3.725978029 8.350099997 +1500.0 0.01245773099 0.0281906731 0.04214968382 0.1001481469 0.1299596849 0.2068787552 0.3235277585 0.5360679504 1.068601583 1.816408483 3.725978029 8.350099997 +1600.0 0.01245773099 0.0281906731 0.04214968382 0.1001481469 0.1299596849 0.2068787552 0.3235277585 0.5360679504 1.068601583 1.816408483 3.725978029 8.350099997 +1700.0 0.01245773099 0.0281906731 0.04214968382 0.1001481469 0.1299596849 0.2068787552 0.3235277585 0.5360679504 1.068601583 1.816408483 3.725978029 8.350099997 +1800.0 0.01245773099 0.0281906731 0.04214968382 0.1001481469 0.1299596849 0.2068787552 0.3235277585 0.5360679504 1.068601583 1.816408483 3.725978029 8.350099997 +1900.0 0.01245773099 0.0281906731 0.04214968382 0.1001481469 0.1299596849 0.2068787552 0.3235277585 0.5360679504 1.068601583 1.816408483 3.725978029 8.350099997 +2000.0 0.01245773099 0.0281906731 0.04214968382 0.1001481469 0.1299596849 0.2068787552 0.3235277585 0.5360679504 1.068601583 1.816408483 3.725978029 8.350099997 diff --git a/examples/MSRE_moltres/data/msre_gentry_4g_fuel_rod0_LAMBDA_none.txt b/examples/MSRE_moltres/data/msre_gentry_4g_fuel_rod0_LAMBDA_none.txt new file mode 100644 index 00000000..b1d23567 --- /dev/null +++ b/examples/MSRE_moltres/data/msre_gentry_4g_fuel_rod0_LAMBDA_none.txt @@ -0,0 +1,15 @@ +633.0 0.01246942064 0.02882471882 0.05089950317 0.1629501108 0.4060135061 1.984717288 +700.0 0.01246942064 0.02882471882 0.05089950317 0.1629501108 0.4060135061 1.984717288 +800.0 0.01246942064 0.02882471882 0.05089950317 0.1629501108 0.4060135061 1.984717288 +900.0 0.01246942064 0.02882471882 0.05089950317 0.1629501108 0.4060135061 1.984717288 +1000.0 0.01246942064 0.02882471882 0.05089950317 0.1629501108 0.4060135061 1.984717288 +1100.0 0.01246942064 0.02882471882 0.05089950317 0.1629501108 0.4060135061 1.984717288 +1200.0 0.01246942064 0.02882471882 0.05089950317 0.1629501108 0.4060135061 1.984717288 +1300.0 0.01246942064 0.02882471882 0.05089950317 0.1629501108 0.4060135061 1.984717288 +1400.0 0.01246942064 0.02882471882 0.05089950317 0.1629501108 0.4060135061 1.984717288 +1500.0 0.01246942064 0.02882471882 0.05089950317 0.1629501108 0.4060135061 1.984717288 +1600.0 0.01246942064 0.02882471882 0.05089950317 0.1629501108 0.4060135061 1.984717288 +1700.0 0.01246942064 0.02882471882 0.05089950317 0.1629501108 0.4060135061 1.984717288 +1800.0 0.01246942064 0.02882471882 0.05089950317 0.1629501108 0.4060135061 1.984717288 +1900.0 0.01246942064 0.02882471882 0.05089950317 0.1629501108 0.4060135061 1.984717288 +2000.0 0.01246942064 0.02882471882 0.05089950317 0.1629501108 0.4060135061 1.984717288 diff --git a/examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_fuel_rod0_NSF.txt b/examples/MSRE_moltres/data/msre_gentry_4g_fuel_rod0_NSF.txt similarity index 100% rename from examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_fuel_rod0_NSF.txt rename to examples/MSRE_moltres/data/msre_gentry_4g_fuel_rod0_NSF.txt diff --git a/examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_fuel_rod0_NUBAR.txt b/examples/MSRE_moltres/data/msre_gentry_4g_fuel_rod0_NUBAR.txt similarity index 100% rename from examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_fuel_rod0_NUBAR.txt rename to examples/MSRE_moltres/data/msre_gentry_4g_fuel_rod0_NUBAR.txt diff --git a/examples/MSRE_moltres/data/msre_gentry_4g_fuel_rod0_RECIPVEL.txt b/examples/MSRE_moltres/data/msre_gentry_4g_fuel_rod0_RECIPVEL.txt new file mode 100644 index 00000000..08537dc7 --- /dev/null +++ b/examples/MSRE_moltres/data/msre_gentry_4g_fuel_rod0_RECIPVEL.txt @@ -0,0 +1,15 @@ +633.0 2.31881e-09 4.18652e-08 3.89292e-07 1.9966e-06 +700.0 2.31591e-09 4.18668e-08 3.89602e-07 1.98922e-06 +800.0 2.31171e-09 4.18738e-08 3.90075e-07 1.97889e-06 +900.0 2.30759e-09 4.18869e-08 3.90549e-07 1.96919e-06 +1000.0 2.30394e-09 4.19026e-08 3.9109e-07 1.96015e-06 +1100.0 2.30014e-09 4.1907e-08 3.91544e-07 1.95162e-06 +1200.0 2.29635e-09 4.19233e-08 3.92171e-07 1.94368e-06 +1300.0 2.29209e-09 4.19298e-08 3.92759e-07 1.93604e-06 +1400.0 2.28872e-09 4.19425e-08 3.93294e-07 1.92928e-06 +1500.0 2.28478e-09 4.19505e-08 3.93933e-07 1.92302e-06 +1600.0 2.28096e-09 4.19591e-08 3.94499e-07 1.9171e-06 +1700.0 2.27749e-09 4.1975e-08 3.9526e-07 1.91166e-06 +1800.0 2.27406e-09 4.19832e-08 3.95921e-07 1.90653e-06 +1900.0 2.27034e-09 4.1995e-08 3.96644e-07 1.90173e-06 +2000.0 2.26729e-09 4.1999e-08 3.97333e-07 1.8971e-06 diff --git a/examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_fuel_rod0_REMXS.txt b/examples/MSRE_moltres/data/msre_gentry_4g_fuel_rod0_REMXS.txt similarity index 100% rename from examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_fuel_rod0_REMXS.txt rename to examples/MSRE_moltres/data/msre_gentry_4g_fuel_rod0_REMXS.txt diff --git a/examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_fuel_rod0_SP0.txt b/examples/MSRE_moltres/data/msre_gentry_4g_fuel_rod0_SP0.txt similarity index 100% rename from examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_fuel_rod0_SP0.txt rename to examples/MSRE_moltres/data/msre_gentry_4g_fuel_rod0_SP0.txt diff --git a/examples/MSRE_moltres/data/msre_gentry_4g_moder_rod0_BETA_EFF.txt b/examples/MSRE_moltres/data/msre_gentry_4g_moder_rod0_BETA_EFF.txt new file mode 100644 index 00000000..e1085fa7 --- /dev/null +++ b/examples/MSRE_moltres/data/msre_gentry_4g_moder_rod0_BETA_EFF.txt @@ -0,0 +1,14 @@ +633.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 +700.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 +800.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 +900.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 +1000.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 +1100.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 +1200.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 +1300.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 +1400.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 +1500.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 +1600.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 +1700.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 +1800.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 +1900.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 diff --git a/examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_moder_rod0_BETA_EFF.txt b/examples/MSRE_moltres/data/msre_gentry_4g_moder_rod0_BETA_EFF_6g.txt similarity index 100% rename from examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_moder_rod0_BETA_EFF.txt rename to examples/MSRE_moltres/data/msre_gentry_4g_moder_rod0_BETA_EFF_6g.txt diff --git a/examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_moder_rod0_CHID.txt b/examples/MSRE_moltres/data/msre_gentry_4g_moder_rod0_CHID.txt similarity index 100% rename from examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_moder_rod0_CHID.txt rename to examples/MSRE_moltres/data/msre_gentry_4g_moder_rod0_CHID.txt diff --git a/examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_moder_rod0_CHIP.txt b/examples/MSRE_moltres/data/msre_gentry_4g_moder_rod0_CHIP.txt similarity index 100% rename from examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_moder_rod0_CHIP.txt rename to examples/MSRE_moltres/data/msre_gentry_4g_moder_rod0_CHIP.txt diff --git a/examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_moder_rod0_CHIT.txt b/examples/MSRE_moltres/data/msre_gentry_4g_moder_rod0_CHIT.txt similarity index 100% rename from examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_moder_rod0_CHIT.txt rename to examples/MSRE_moltres/data/msre_gentry_4g_moder_rod0_CHIT.txt diff --git a/examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_moder_rod0_DIFFCOEF.txt b/examples/MSRE_moltres/data/msre_gentry_4g_moder_rod0_DIFFCOEF.txt similarity index 100% rename from examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_moder_rod0_DIFFCOEF.txt rename to examples/MSRE_moltres/data/msre_gentry_4g_moder_rod0_DIFFCOEF.txt diff --git a/examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_moder_rod0_FISS.txt b/examples/MSRE_moltres/data/msre_gentry_4g_moder_rod0_FISS.txt similarity index 100% rename from examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_moder_rod0_FISS.txt rename to examples/MSRE_moltres/data/msre_gentry_4g_moder_rod0_FISS.txt diff --git a/examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_moder_rod0_FLX.txt b/examples/MSRE_moltres/data/msre_gentry_4g_moder_rod0_FLX.txt similarity index 100% rename from examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_moder_rod0_FLX.txt rename to examples/MSRE_moltres/data/msre_gentry_4g_moder_rod0_FLX.txt diff --git a/examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_moder_rod0_INVV.txt b/examples/MSRE_moltres/data/msre_gentry_4g_moder_rod0_INVV.txt similarity index 100% rename from examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_moder_rod0_INVV.txt rename to examples/MSRE_moltres/data/msre_gentry_4g_moder_rod0_INVV.txt diff --git a/examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_moder_rod0_KAPPA.txt b/examples/MSRE_moltres/data/msre_gentry_4g_moder_rod0_KAPPA.txt similarity index 100% rename from examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_moder_rod0_KAPPA.txt rename to examples/MSRE_moltres/data/msre_gentry_4g_moder_rod0_KAPPA.txt diff --git a/examples/MSRE_moltres/data/msre_gentry_4g_moder_rod0_LAMBDA.txt b/examples/MSRE_moltres/data/msre_gentry_4g_moder_rod0_LAMBDA.txt new file mode 100644 index 00000000..e1085fa7 --- /dev/null +++ b/examples/MSRE_moltres/data/msre_gentry_4g_moder_rod0_LAMBDA.txt @@ -0,0 +1,14 @@ +633.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 +700.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 +800.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 +900.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 +1000.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 +1100.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 +1200.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 +1300.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 +1400.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 +1500.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 +1600.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 +1700.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 +1800.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 +1900.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 diff --git a/examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_moder_rod0_LAMBDA.txt b/examples/MSRE_moltres/data/msre_gentry_4g_moder_rod0_LAMBDA_6g.txt similarity index 100% rename from examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_moder_rod0_LAMBDA.txt rename to examples/MSRE_moltres/data/msre_gentry_4g_moder_rod0_LAMBDA_6g.txt diff --git a/examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_moder_rod0_NSF.txt b/examples/MSRE_moltres/data/msre_gentry_4g_moder_rod0_NSF.txt similarity index 100% rename from examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_moder_rod0_NSF.txt rename to examples/MSRE_moltres/data/msre_gentry_4g_moder_rod0_NSF.txt diff --git a/examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_moder_rod0_NUBAR.txt b/examples/MSRE_moltres/data/msre_gentry_4g_moder_rod0_NUBAR.txt similarity index 100% rename from examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_moder_rod0_NUBAR.txt rename to examples/MSRE_moltres/data/msre_gentry_4g_moder_rod0_NUBAR.txt diff --git a/examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_moder_rod0_REMXS.txt b/examples/MSRE_moltres/data/msre_gentry_4g_moder_rod0_REMXS.txt similarity index 100% rename from examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_moder_rod0_REMXS.txt rename to examples/MSRE_moltres/data/msre_gentry_4g_moder_rod0_REMXS.txt diff --git a/examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_moder_rod0_SP0.txt b/examples/MSRE_moltres/data/msre_gentry_4g_moder_rod0_SP0.txt similarity index 100% rename from examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_moder_rod0_SP0.txt rename to examples/MSRE_moltres/data/msre_gentry_4g_moder_rod0_SP0.txt diff --git a/examples/MSRE_moltres/publication_basis/no_dnp_sim.i b/examples/MSRE_moltres/no_dnp_sim.i similarity index 91% rename from examples/MSRE_moltres/publication_basis/no_dnp_sim.i rename to examples/MSRE_moltres/no_dnp_sim.i index c8569c4f..5c788bc5 100644 --- a/examples/MSRE_moltres/publication_basis/no_dnp_sim.i +++ b/examples/MSRE_moltres/no_dnp_sim.i @@ -8,12 +8,13 @@ H = 162.56 [GlobalParams] num_groups = 4 - num_precursor_groups = 6 + num_precursor_groups = 12 use_exp_form = false group_fluxes = 'group1 group2 group3 group4' temperature = temp sss2_input = true - pre_concs = 'pre1 pre2 pre3 pre4 pre5 pre6' + #pre_concs = 'pre1 pre2 pre3 pre4 pre5 pre6' + pre_concs = 'pre1 pre2 pre3 pre4 pre5 pre6 pre7 pre8 pre9 pre10 pre11 pre12' account_delayed = true nt_scale = ${nt_scale} [] @@ -54,6 +55,36 @@ H = 162.56 variable = pre6 value = 0 [] + [pre7_zero] + type = ConstantIC + variable = pre7 + value = 0 + [] + [pre8_zero] + type = ConstantIC + variable = pre8 + value = 0 + [] + [pre9_zero] + type = ConstantIC + variable = pre9 + value = 0 + [] + [pre10_zero] + type = ConstantIC + variable = pre10 + value = 0 + [] + [pre11_zero] + type = ConstantIC + variable = pre11 + value = 0 + [] + [pre12_zero] + type = ConstantIC + variable = pre12 + value = 0 + [] [] [Mesh] diff --git a/examples/MSRE_moltres/publication_basis/4group_eigen.i b/examples/MSRE_moltres/publication_basis/4group_eigen.i deleted file mode 100644 index 2f302c3a..00000000 --- a/examples/MSRE_moltres/publication_basis/4group_eigen.i +++ /dev/null @@ -1,83 +0,0 @@ -[GlobalParams] - num_groups = 4 - num_precursor_groups = 6 - use_exp_form = false - group_fluxes = 'group1 group2 group3 group4' - temperature = 922 - sss2_input = true - pre_concs = '' - account_delayed = false -[] - -[Mesh] - coord_type = RZ - file = '2d_lattice_structured.msh' -[] - -[Nt] - var_name_base = group - vacuum_boundaries = 'fuel_bottoms fuel_tops moder_bottoms moder_tops outer_wall' - create_temperature_var = false - eigen = true -[] - -[Materials] - [fuel] - type = GenericMoltresMaterial - property_tables_root = './data/msre_gentry_4g_fuel_rod0_' - interp_type = 'spline' - block = 'fuel' - [] - [moder] - type = GenericMoltresMaterial - property_tables_root = './data/msre_gentry_4g_moder_rod0_' - interp_type = 'spline' - block = 'moder' - [] -[] - -[Executioner] - type = Eigenvalue - eigen_tol = 1e-6 - normalization = bnorm - normal_factor = 1 - solve_type = 'PJFNK' - # solve_type = 'NEWTON' - petsc_options = '-snes_converged_reason -ksp_converged_reason -snes_linesearch_monitor' - petsc_options_iname = '-pc_type' - petsc_options_value = 'lu' - # petsc_options_iname = '-pc_type -sub_pc_type' - # petsc_options_value = 'asm lu' -[] - -[Preconditioning] - [SMP] - type = SMP - full = true - [] -[] - -[Postprocessors] - [bnorm] - type = ElmIntegTotFissNtsPostprocessor - block = 'fuel' - execute_on = 'nonlinear linear timestep_end' - [] - [group1diff] - type = ElementL2Diff - variable = group1 - execute_on = 'nonlinear linear timestep_end' - use_displaced_mesh = false - [] -[] - -[Outputs] - perf_graph = true - print_linear_residuals = true - csv = true - exodus = true -[] - -[Debug] - show_var_residual_norms = true -[] diff --git a/examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_fuel_rod0_BETA_EFF.txt b/examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_fuel_rod0_BETA_EFF.txt deleted file mode 100644 index e0235374..00000000 --- a/examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_fuel_rod0_BETA_EFF.txt +++ /dev/null @@ -1,15 +0,0 @@ -633.0 0.000226501 0.001154 0.00111757 0.00319026 0.00092849 0.000330988 -700.0 0.00022106 0.00116751 0.00111846 0.00317024 0.000918021 0.000325859 -800.0 0.000225459 0.00116428 0.00111583 0.00323192 0.000930666 0.00033578 -900.0 0.000229174 0.00116293 0.00111343 0.00320767 0.000921391 0.000324342 -1000.0 0.000218601 0.00113847 0.00114819 0.00314531 0.000940881 0.000344166 -1100.0 0.000229803 0.00116081 0.00113566 0.00317357 0.000928951 0.000332866 -1200.0 0.000230486 0.00114622 0.00112777 0.00319282 0.00094333 0.000330385 -1300.0 0.000229214 0.00114182 0.00112891 0.00321003 0.000934204 0.000329161 -1400.0 0.000221727 0.00117281 0.00114341 0.00317979 0.000937756 0.000335451 -1500.0 0.000223555 0.00115058 0.00114461 0.00319446 0.000946769 0.000334195 -1600.0 0.000226473 0.00117587 0.00111343 0.00318227 0.000939181 0.000323947 -1700.0 0.000227331 0.00117364 0.00113638 0.00320646 0.000925771 0.000329403 -1800.0 0.000225931 0.00117382 0.00113728 0.00318722 0.000948451 0.000330997 -1900.0 0.000220137 0.00116971 0.00113134 0.00322468 0.000941208 0.00033239 -2000.0 0.000232401 0.00116898 0.00114567 0.00321873 0.000942671 0.000334279 diff --git a/examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_fuel_rod0_LAMBDA.txt b/examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_fuel_rod0_LAMBDA.txt deleted file mode 100644 index 26f5c0be..00000000 --- a/examples/MSRE_moltres/publication_basis/data/msre_gentry_4g_fuel_rod0_LAMBDA.txt +++ /dev/null @@ -1,15 +0,0 @@ -633.0 0.0124906 0.0318222 0.109384 0.317046 1.35382 8.64066 -700.0 0.0124906 0.0318219 0.109384 0.317041 1.35383 8.64019 -800.0 0.0124906 0.0318217 0.109385 0.317039 1.35385 8.63996 -900.0 0.0124906 0.0318216 0.109385 0.317033 1.35382 8.64133 -1000.0 0.0124906 0.0318213 0.109386 0.317037 1.35384 8.63919 -1100.0 0.0124906 0.0318218 0.109387 0.317047 1.35384 8.64035 -1200.0 0.0124906 0.0318212 0.109389 0.317038 1.35386 8.64028 -1300.0 0.0124906 0.031821 0.109383 0.317053 1.35383 8.64018 -1400.0 0.0124906 0.0318221 0.109383 0.317048 1.35387 8.64031 -1500.0 0.0124906 0.0318216 0.109389 0.317031 1.35386 8.64004 -1600.0 0.0124906 0.0318227 0.109388 0.31704 1.35385 8.64213 -1700.0 0.0124906 0.031823 0.109383 0.317041 1.35386 8.63997 -1800.0 0.0124906 0.0318211 0.109388 0.317032 1.35383 8.63905 -1900.0 0.0124906 0.0318223 0.109385 0.317029 1.35387 8.64189 -2000.0 0.0124906 0.031822 0.109386 0.317039 1.35383 8.64047 diff --git a/examples/MSRE_moltres/publication_basis/eigen_eval.i b/examples/MSRE_moltres/publication_basis/eigen_eval.i deleted file mode 100644 index afc2b55a..00000000 --- a/examples/MSRE_moltres/publication_basis/eigen_eval.i +++ /dev/null @@ -1,231 +0,0 @@ -[GlobalParams] - num_groups = 4 - num_precursor_groups = 6 - use_exp_form = false - group_fluxes = 'group1 group2 group3 group4' - temperature = temp - sss2_input = true - pre_concs = 'pre1 pre2 pre3 pre4 pre5 pre6' - account_delayed = true -[] - -[Problem] - allow_initial_conditions_with_restart = true -[] - -[Mesh] - file = './auto_diff_rho_out.e' -[../] - -[AuxVariables] - [./temp] - scaling = 1e-4 - initial_from_file_var = temp - initial_from_file_timestep = LATEST - [../] - [pre1] - family = MONOMIAL - order = CONSTANT - initial_from_file_var = pre1 - initial_from_file_timestep = LATEST - block = 'fuel' - [] - [pre2] - family = MONOMIAL - order = CONSTANT - initial_from_file_var = pre2 - initial_from_file_timestep = LATEST - block = 'fuel' - [] - [pre3] - family = MONOMIAL - order = CONSTANT - initial_from_file_var = pre3 - initial_from_file_timestep = LATEST - block = 'fuel' - [] - [pre4] - family = MONOMIAL - order = CONSTANT - initial_from_file_var = pre4 - initial_from_file_timestep = LATEST - block = 'fuel' - [] - [pre5] - family = MONOMIAL - order = CONSTANT - initial_from_file_var = pre5 - initial_from_file_timestep = LATEST - block = 'fuel' - [] - [pre6] - family = MONOMIAL - order = CONSTANT - initial_from_file_var = pre6 - initial_from_file_timestep = LATEST - block = 'fuel' - [] -[] - - -[Nt] - var_name_base = group - vacuum_boundaries = 'fuel_bottoms fuel_tops moder_bottoms moder_tops outer_wall' - pre_blocks = 'fuel' - create_temperature_var = false - eigen = true -[] - -[Materials] - [fuel] - type = GenericMoltresMaterial - property_tables_root = './data/msre_gentry_4g_fuel_rod0_' - interp_type = 'spline' - block = 'fuel' - prop_names = 'k cp' - prop_values = '.0553 1967' # Robertson MSRE technical report @ 922 K - controller_gain = 0 - [] - [rho_fuel] - type = DerivativeParsedMaterial - property_name = rho - expression = '2.146e-3 * exp(-1.8 * 1.18e-4 * (temp - 922))' - coupled_variables = 'temp' - derivative_order = 1 - block = 'fuel' - [] - [moder] - type = GenericMoltresMaterial - property_tables_root = './data/msre_gentry_4g_moder_rod0_' - interp_type = 'spline' - prop_names = 'k cp' - prop_values = '.312 1760' # Cammi 2011 at 908 K - block = 'moder' - controller_gain = 0 - [] - [rho_moder] - type = DerivativeParsedMaterial - property_name = rho - expression = '1.86e-3 * exp(-1.8 * 1.0e-5 * (temp - 922))' - coupled_variables = 'temp' - derivative_order = 1 - block = 'moder' - [] -[] - -[Executioner] - type = Eigenvalue - initial_eigenvalue = 1 - solve_type = 'PJFNK' - petsc_options = '-snes_converged_reason -ksp_converged_reason -snes_linesearch_monitor' - petsc_options_iname = '-pc_type -pc_hypre_type' - petsc_options_value = 'hypre boomeramg' - - automatic_scaling = true - compute_scaling_once = false - resid_vs_jac_scaling_param = 0.1 - - line_search = none -[] - - - - -[Postprocessors] - [pre1_integral] - type = ElementIntegralVariablePostprocessor - variable = pre1 - execute_on = linear - block = 'fuel' - [] - [k_eff] - type = VectorPostprocessorComponent - index = 0 - vectorpostprocessor = k_vpp - vector_name = eigen_values_real - [] - [bnorm] - type = ElmIntegTotFissNtsPostprocessor - block = 'fuel' - execute_on = linear - [] - [tot_fissions] - type = ElmIntegTotFissPostprocessor - execute_on = linear - [] - [powernorm] - type = ElmIntegTotFissHeatPostprocessor - execute_on = linear - [] - [group1norm] - type = ElementIntegralVariablePostprocessor - variable = group1 - execute_on = linear - [] - [group1max] - type = NodalExtremeValue - value_type = max - variable = group1 - execute_on = timestep_end - [] - [group1diff] - type = ElementL2Diff - variable = group1 - execute_on = 'linear timestep_end' - use_displaced_mesh = false - [] - [group2norm] - type = ElementIntegralVariablePostprocessor - variable = group2 - execute_on = linear - [] - [group2max] - type = NodalExtremeValue - value_type = max - variable = group2 - execute_on = timestep_end - [] - [group2diff] - type = ElementL2Diff - variable = group2 - execute_on = 'linear timestep_end' - use_displaced_mesh = false - [] - # MULTIAPP - [./inlet_mean_temp] - type = Receiver - initialize_old = true - execute_on = 'timestep_begin' - [../] -[] - -[VectorPostprocessors] - [k_vpp] - type = Eigenvalues - inverse_eigenvalue = false - [] - [centerline_flux] - type = LineValueSampler - variable = 'group1 group2 group3 group4' - start_point = '0 0 0' - end_point = '0 150 0' - num_points = 151 - sort_by = y - execute_on = FINAL - [] - [midplane_flux] - type = LineValueSampler - variable = 'group1 group2 group3 group4' - start_point = '0 75 0' - end_point = '69.375 75 0' - num_points = 100 - sort_by = x - execute_on = FINAL - [] -[] - -[Outputs] - [exodus] - type = Exodus - [] -[] \ No newline at end of file diff --git a/examples/MSRE_moltres/publication_basis/sub.i b/examples/MSRE_moltres/sub.i similarity index 99% rename from examples/MSRE_moltres/publication_basis/sub.i rename to examples/MSRE_moltres/sub.i index 954bc0b1..6d58df35 100644 --- a/examples/MSRE_moltres/publication_basis/sub.i +++ b/examples/MSRE_moltres/sub.i @@ -3,7 +3,7 @@ ini_temp = 922 [GlobalParams] num_groups = 4 - num_precursor_groups = 6 + num_precursor_groups = 12 group_fluxes = '0 0 0 0' temperature = temp sss2_input = true diff --git a/examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/eigen_eval.i b/examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/eigen_eval.i deleted file mode 100644 index fb7f2f28..00000000 --- a/examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/eigen_eval.i +++ /dev/null @@ -1,246 +0,0 @@ -[GlobalParams] - num_groups = 2 - num_precursor_groups = 6 - use_exp_form = false - group_fluxes = 'group1 group2' - temperature = temp - sss2_input = false - pre_concs = 'pre1 pre2 pre3 pre4 pre5 pre6' - account_delayed = true -[] - -[Problem] - allow_initial_conditions_with_restart = true -[] - -[Mesh] - file = './precursor_dist_calc.e' -[../] - -[AuxVariables] - [./temp] - scaling = 1e-4 - initial_from_file_var = temp - initial_from_file_timestep = LATEST - [../] - [pre1] - family = MONOMIAL - order = CONSTANT - initial_from_file_var = pre1 - initial_from_file_timestep = LATEST - block = '0' - [] - [pre2] - family = MONOMIAL - order = CONSTANT - initial_from_file_var = pre2 - initial_from_file_timestep = LATEST - block = '0' - [] - [pre3] - family = MONOMIAL - order = CONSTANT - initial_from_file_var = pre3 - initial_from_file_timestep = LATEST - block = '0' - [] - [pre4] - family = MONOMIAL - order = CONSTANT - initial_from_file_var = pre4 - initial_from_file_timestep = LATEST - block = '0' - [] - [pre5] - family = MONOMIAL - order = CONSTANT - initial_from_file_var = pre5 - initial_from_file_timestep = LATEST - block = '0' - [] - [pre6] - family = MONOMIAL - order = CONSTANT - initial_from_file_var = pre6 - initial_from_file_timestep = LATEST - block = '0' - [] -[] - -[Variables] - [./group1] - order = FIRST - family = LAGRANGE - initial_from_file_var = group1 - initial_from_file_timestep = LATEST - scaling = 1e4 - [../] - [./group2] - order = FIRST - family = LAGRANGE - scaling = 1e4 - initial_from_file_var = group2 - initial_from_file_timestep = LATEST - [../] -[] - - -[Nt] - var_name_base = group - vacuum_boundaries = 'fuel_bottom fuel_top mod_bottom mod_top right' - pre_blocks = '0' - create_temperature_var = false - eigen = true -[] - -[Materials] - [./fuel] - type = GenericMoltresMaterial - property_tables_root = './newt_msre_fuel_' - interp_type = 'spline' - block = '0' - prop_names = 'k cp' - prop_values = '.0553 1967' # Robertson MSRE technical report @ 922 K - [../] - [./rho_fuel] - type = DerivativeParsedMaterial - f_name = rho - function = '2.146e-3 * exp(-1.8 * 1.18e-4 * (temp - 922))' - coupled_variables = 'temp' - derivative_order = 1 - block = '0' - [../] - [./moder] - type = GenericMoltresMaterial - property_tables_root = './newt_msre_mod_' - interp_type = 'spline' - prop_names = 'k cp' - prop_values = '.312 1760' # Cammi 2011 at 908 K - block = '1' - [../] - [./rho_moder] - type = DerivativeParsedMaterial - f_name = rho - function = '1.86e-3 * exp(-1.8 * 1.0e-5 * (temp - 922))' - coupled_variables = 'temp' - derivative_order = 1 - block = '1' - [../] -[] - -[Executioner] - type = Eigenvalue - initial_eigenvalue = 1 - solve_type = 'PJFNK' - petsc_options = '-snes_converged_reason -ksp_converged_reason -snes_linesearch_monitor' - petsc_options_iname = '-pc_type -pc_hypre_type' - petsc_options_value = 'hypre boomeramg' - - automatic_scaling = true - compute_scaling_once = false - resid_vs_jac_scaling_param = 0.1 - - line_search = none -[] - - - - -[Postprocessors] - [pre1_integral] - type = ElementIntegralVariablePostprocessor - variable = pre1 - execute_on = linear - block = '0' - [] - [k_eff] - type = VectorPostprocessorComponent - index = 0 - vectorpostprocessor = k_vpp - vector_name = eigen_values_real - [] - [bnorm] - type = ElmIntegTotFissNtsPostprocessor - block = '0' - execute_on = linear - [] - [tot_fissions] - type = ElmIntegTotFissPostprocessor - execute_on = linear - [] - [powernorm] - type = ElmIntegTotFissHeatPostprocessor - execute_on = linear - [] - [group1norm] - type = ElementIntegralVariablePostprocessor - variable = group1 - execute_on = linear - [] - [group1max] - type = NodalExtremeValue - value_type = max - variable = group1 - execute_on = timestep_end - [] - [group1diff] - type = ElementL2Diff - variable = group1 - execute_on = 'linear timestep_end' - use_displaced_mesh = false - [] - [group2norm] - type = ElementIntegralVariablePostprocessor - variable = group2 - execute_on = linear - [] - [group2max] - type = NodalExtremeValue - value_type = max - variable = group2 - execute_on = timestep_end - [] - [group2diff] - type = ElementL2Diff - variable = group2 - execute_on = 'linear timestep_end' - use_displaced_mesh = false - [] - # MULTIAPP - [./inlet_mean_temp] - type = Receiver - initialize_old = true - execute_on = 'timestep_begin' - [../] -[] - -[VectorPostprocessors] - [k_vpp] - type = Eigenvalues - inverse_eigenvalue = false - [] - [centerline_flux] - type = LineValueSampler - variable = 'group1 group2' - start_point = '0 0 0' - end_point = '0 150 0' - num_points = 151 - sort_by = y - execute_on = FINAL - [] - [midplane_flux] - type = LineValueSampler - variable = 'group1 group2' - start_point = '0 75 0' - end_point = '69.375 75 0' - num_points = 100 - sort_by = x - execute_on = FINAL - [] -[] - -[Outputs] - [exodus] - type = Exodus - [] -[] \ No newline at end of file diff --git a/examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/mesh.e b/examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/mesh.e deleted file mode 100644 index 71f57bdd40bf28ca6d4307c9f18ce36b40ae99fe..0000000000000000000000000000000000000000 GIT binary patch literal 0 HcmV?d00001 literal 96556 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2.37036E-04 1.54397E-03 1.38044E-03 2.80445E-03 8.25534E-04 2.85552E-04 diff --git a/examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_fuel_CHI.txt b/examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_fuel_CHI.txt deleted file mode 100644 index 990984ae..00000000 --- a/examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_fuel_CHI.txt +++ /dev/null @@ -1,3 +0,0 @@ -922 1.00000E+00 0.00000E+00 -972 1.00000E+00 0.00000E+00 -1022 1.00000E+00 0.00000E+00 diff --git a/examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_fuel_DECAY_CONSTANT.txt b/examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_fuel_DECAY_CONSTANT.txt deleted file mode 100644 index 3359eff0..00000000 --- a/examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_fuel_DECAY_CONSTANT.txt +++ /dev/null @@ -1,3 +0,0 @@ -922 1.24378E-02 3.06300E-02 1.11474E-01 3.02248E-01 1.17229E+00 3.07474E+00 -972 1.24376E-02 3.06293E-02 1.11471E-01 3.02241E-01 1.17212E+00 3.07438E+00 -1022 1.24374E-02 3.06286E-02 1.11468E-01 3.02234E-01 1.17194E+00 3.07400E+00 diff --git a/examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_fuel_DIFFCOEF.txt b/examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_fuel_DIFFCOEF.txt deleted file mode 100644 index 24cca3c3..00000000 --- a/examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_fuel_DIFFCOEF.txt +++ /dev/null @@ -1,3 +0,0 @@ -922 1.42796148502 1.26251148885 -972 1.44313263688 1.2777364643 -1022 1.45794060058 1.29262094408 diff --git a/examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_fuel_FISSE.txt b/examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_fuel_FISSE.txt deleted file mode 100644 index 869c41fa..00000000 --- a/examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_fuel_FISSE.txt +++ /dev/null @@ -1,3 +0,0 @@ -922 194.31036598 194.286017874 -972 194.309021483 194.28532525 -1022 194.309660985 194.284939421 diff --git a/examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_fuel_FISSXS.txt b/examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_fuel_FISSXS.txt deleted file mode 100644 index ad47c064..00000000 --- a/examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_fuel_FISSXS.txt +++ /dev/null @@ -1,3 +0,0 @@ -922 0.00130417 0.0217635 -972 0.00129635 0.0211145 -1022 0.00128962 0.0205105 diff --git a/examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_fuel_FLUX.txt b/examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_fuel_FLUX.txt deleted file mode 100644 index bbffcde0..00000000 --- a/examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_fuel_FLUX.txt +++ /dev/null @@ -1,3 +0,0 @@ -922 10.8347 3.91974 -972 10.9083 4.04271 -1022 10.9795 4.16447 diff --git a/examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_fuel_GTRANSFXS.txt b/examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_fuel_GTRANSFXS.txt deleted file mode 100644 index 97e504d5..00000000 --- a/examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_fuel_GTRANSFXS.txt +++ /dev/null @@ -1,3 +0,0 @@ -922 0.266445 0.0015943 0.00202371 0.249011 -972 0.26352 0.00178607 0.00209278 0.246277 -1022 0.260705 0.00199628 0.00217227 0.243624 diff --git a/examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_fuel_NSF.txt b/examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_fuel_NSF.txt deleted file mode 100644 index 5bba0a18..00000000 --- a/examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_fuel_NSF.txt +++ /dev/null @@ -1,3 +0,0 @@ -922 0.00318268 0.0530312 -972 0.00316355 0.0514497 -1022 0.0031471 0.0499778 diff --git a/examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_fuel_NUBAR.txt b/examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_fuel_NUBAR.txt deleted file mode 100644 index 7eecbe3b..00000000 --- a/examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_fuel_NUBAR.txt +++ /dev/null @@ -1,3 +0,0 @@ -922 2.44038737281 2.4367036552 -972 2.44035175686 2.43669989817 -1022 2.44033126037 2.43669340094 diff --git a/examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_fuel_RECIPVEL.txt b/examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_fuel_RECIPVEL.txt deleted file mode 100644 index d3d2cd04..00000000 --- a/examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_fuel_RECIPVEL.txt +++ /dev/null @@ -1,3 +0,0 @@ -922 9.68949E-08 2.05657E-06 -972 9.79604E-08 2.01960E-06 -1022 9.91412E-08 1.98497E-06 diff --git a/examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_fuel_REMXS.txt b/examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_fuel_REMXS.txt deleted file mode 100644 index 6caa9eae..00000000 --- a/examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_fuel_REMXS.txt +++ /dev/null @@ -1,3 +0,0 @@ -922 0.00572091 0.0286412 -972 0.00577444 0.02804167 -1022 0.0058392 0.02751448 diff --git a/examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_mod_BETA_EFF.txt b/examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_mod_BETA_EFF.txt deleted file mode 100644 index 62a93fbb..00000000 --- a/examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_mod_BETA_EFF.txt +++ /dev/null @@ -1,3 +0,0 @@ -922 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 -972 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 -1022 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 diff --git a/examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_mod_CHI.txt b/examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_mod_CHI.txt deleted file mode 100644 index 84f72343..00000000 --- a/examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_mod_CHI.txt +++ /dev/null @@ -1,3 +0,0 @@ -922 0.00000E+00 0.00000E+00 -972 0.00000E+00 0.00000E+00 -1022 0.00000E+00 0.00000E+00 diff --git a/examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_mod_DECAY_CONSTANT.txt b/examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_mod_DECAY_CONSTANT.txt deleted file mode 100644 index 62a93fbb..00000000 --- a/examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_mod_DECAY_CONSTANT.txt +++ /dev/null @@ -1,3 +0,0 @@ -922 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 -972 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 -1022 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 diff --git a/examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_mod_DIFFCOEF.txt b/examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_mod_DIFFCOEF.txt deleted file mode 100644 index ad189cd5..00000000 --- a/examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_mod_DIFFCOEF.txt +++ /dev/null @@ -1,3 +0,0 @@ -922 0.985027580772 0.769666518891 -972 0.985732507684 0.770022115035 -1022 0.985875363665 0.770014999892 diff --git a/examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_mod_FISSE.txt b/examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_mod_FISSE.txt deleted file mode 100644 index 4e135f75..00000000 --- a/examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_mod_FISSE.txt +++ /dev/null @@ -1,3 +0,0 @@ -922 0.0 0.0 -972 0.0 0.0 -1022 0.0 0.0 diff --git a/examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_mod_FISSXS.txt b/examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_mod_FISSXS.txt deleted file mode 100644 index 4e135f75..00000000 --- a/examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_mod_FISSXS.txt +++ /dev/null @@ -1,3 +0,0 @@ -922 0.0 0.0 -972 0.0 0.0 -1022 0.0 0.0 diff --git a/examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_mod_FLUX.txt b/examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_mod_FLUX.txt deleted file mode 100644 index 8a6c51fe..00000000 --- a/examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_mod_FLUX.txt +++ /dev/null @@ -1,3 +0,0 @@ -922 10.6369 4.0659 -972 10.7102 4.18902 -1022 10.781 4.31096 diff --git a/examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_mod_GTRANSFXS.txt b/examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_mod_GTRANSFXS.txt deleted file mode 100644 index 66864c9a..00000000 --- a/examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_mod_GTRANSFXS.txt +++ /dev/null @@ -1,3 +0,0 @@ -922 0.393826 0.00296472 0.00424578 0.45548 -972 0.393324 0.0033761 0.00442734 0.454857 -1022 0.393018 0.00383269 0.0046346 0.454403 diff --git a/examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_mod_NSF.txt b/examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_mod_NSF.txt deleted file mode 100644 index 4e135f75..00000000 --- a/examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_mod_NSF.txt +++ /dev/null @@ -1,3 +0,0 @@ -922 0.0 0.0 -972 0.0 0.0 -1022 0.0 0.0 diff --git a/examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_mod_NUBAR.txt b/examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_mod_NUBAR.txt deleted file mode 100644 index 4e135f75..00000000 --- a/examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_mod_NUBAR.txt +++ /dev/null @@ -1,3 +0,0 @@ -922 0.0 0.0 -972 0.0 0.0 -1022 0.0 0.0 diff --git a/examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_mod_RECIPVEL.txt b/examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_mod_RECIPVEL.txt deleted file mode 100644 index 79f75f24..00000000 --- a/examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_mod_RECIPVEL.txt +++ /dev/null @@ -1,3 +0,0 @@ -922 9.98046E-08 2.07824E-06 -972 1.00883E-07 2.03998E-06 -1022 1.02080E-07 2.00420E-06 diff --git a/examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_mod_REMXS.txt b/examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_mod_REMXS.txt deleted file mode 100644 index e4eb1ddc..00000000 --- a/examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/newt_msre_mod_REMXS.txt +++ /dev/null @@ -1,3 +0,0 @@ -922 0.0042598939 0.003109062 -972 0.0044414982 0.003517643 -1022 0.004648825 0.003971745 diff --git a/examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/precursor_dist_calc.i b/examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/precursor_dist_calc.i deleted file mode 100644 index fe81952f..00000000 --- a/examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/precursor_dist_calc.i +++ /dev/null @@ -1,267 +0,0 @@ -flow_velocity=21.7 # cm/s. See MSRE-properties.ods -nt_scale=1 -ini_temp=922 - -[GlobalParams] - num_groups = 2 - num_precursor_groups = 6 - use_exp_form = false - group_fluxes = 'group1 group2' - temperature = temp - sss2_input = false - pre_concs = 'pre1 pre2 pre3 pre4 pre5 pre6' - account_delayed = true -[] - -[Mesh] - coord_type = RZ - [mesh] - type = FileMeshGenerator - file = 'mesh.e' - [] -[] - -[Nt] - var_name_base = group - vacuum_boundaries = 'fuel_bottom fuel_top mod_bottom mod_top right' - create_temperature_var = false - pre_blocks = '0' -[] - -[Variables] - [./temp] - initial_condition = ${ini_temp} - [../] -[] - -[Precursors] - [./core] - var_name_base = pre - block = '0' - outlet_boundaries = 'fuel_top' - u_def = 0 - v_def = ${flow_velocity} - w_def = 0 - nt_exp_form = false - family = MONOMIAL - order = CONSTANT - loop_precursors = true - multi_app = loopApp - is_loopapp = false - inlet_boundaries = 'fuel_bottom' - [../] -[] - -[Kernels] - # Temperature - [./temp_time_derivative] - type = MatINSTemperatureTimeDerivative - variable = temp - [../] - [./temp_source_fuel] - type = TransientFissionHeatSource - variable = temp - nt_scale=${nt_scale} - block = '0' - [../] - [./temp_diffusion] - type = MatDiffusion - diffusivity = 'k' - variable = temp - [../] - [./temp_advection_fuel] - type = ConservativeTemperatureAdvection - velocity = '0 ${flow_velocity} 0' - variable = temp - block = '0' - [../] -[] - -[BCs] - [./fuel_bottom_looped] - boundary = 'fuel_bottom right' - type = PostprocessorDirichletBC - postprocessor = inlet_mean_temp - variable = temp - [../] - [./temp_advection_outlet] - boundary = 'fuel_top' - type = TemperatureOutflowBC - variable = temp - velocity = '0 ${flow_velocity} 0' - [../] - #[temp_inlet] - # boundary = 'fuel_bottom' - # type = DirichletBC - # variable = temp - # value = ${ini_temp} - #[] -[] - -[Materials] - [./fuel] - type = GenericMoltresMaterial - property_tables_root = './newt_msre_fuel_' - interp_type = 'spline' - block = '0' - prop_names = 'k cp' - prop_values = '.0553 1967' # Robertson MSRE technical report @ 922 K - [../] - [./rho_fuel] - type = DerivativeParsedMaterial - f_name = rho - function = '2.146e-3 * exp(-1.8 * 1.18e-4 * (temp - 922))' - coupled_variables = 'temp' - derivative_order = 1 - block = '0' - [../] - [./moder] - type = GenericMoltresMaterial - property_tables_root = './newt_msre_mod_' - interp_type = 'spline' - prop_names = 'k cp' - prop_values = '.312 1760' # Cammi 2011 at 908 K - block = '1' - [../] - [./rho_moder] - type = DerivativeParsedMaterial - f_name = rho - function = '1.86e-3 * exp(-1.8 * 1.0e-5 * (temp - 922))' - coupled_variables = 'temp' - derivative_order = 1 - block = '1' - [../] -[] - - - -[Executioner] - type = Transient - end_time = 11000 - compute_scaling_once = false - automatic_scaling = true - scaling_group_variables = 'group1 group2; pre1 pre2 pre3 pre4 pre5 pre6; temp' - - nl_rel_tol = 1e-5 - nl_abs_tol = 1e-5 - - solve_type = 'PJFNK' - petsc_options = '-snes_converged_reason -ksp_converged_reason -snes_linesearch_monitor' - petsc_options_iname = '-pc_type' - petsc_options_value = 'lu' - line_search = 'none' - - nl_max_its = 30 - l_max_its = 100 - - dtmin = 1e-5 - # dtmax = 1 - # dt = 1e-3 - [./TimeStepper] - type = IterationAdaptiveDT - dt = 1e-3 - cutback_factor = 0.4 - growth_factor = 1.2 - optimal_iterations = 20 - [../] -[] - -[Preconditioning] - [./SMP] - type = SMP - full = true - [../] -[] - -[Postprocessors] - [tot_fissions] - type = ElmIntegTotFissPostprocessor - execute_on = linear - [] - [powernorm] - type = ElmIntegTotFissHeatPostprocessor - execute_on = linear - [] - [pre1_integral] - type = ElementIntegralVariablePostprocessor - variable = pre1 - execute_on = linear - block = '0' - [] - [./group1_current] - type = IntegralNewVariablePostprocessor - variable = group1 - outputs = 'console exodus' - [../] - [./group1_old] - type = IntegralOldVariablePostprocessor - variable = group1 - outputs = 'console exodus' - [../] - [./multiplication] - type = DivisionPostprocessor - value1 = group1_current - value2 = group1_old - outputs = 'console exodus' - [../] - [./temp_fuel] - type = ElementAverageValue - variable = temp - block = '0' - outputs = 'exodus console' - [../] - [./coreEndTemp] - type = SideAverageValue - variable = temp - boundary = 'fuel_top' - outputs = 'exodus console' - [../] - # MULTIAPP - [./inlet_mean_temp] - type = Receiver - initialize_old = true - execute_on = 'timestep_begin' - [../] -[] - -[Outputs] - #perf_graph = true - #print_linear_residuals = true - [./exodus] - type = Exodus - file_base = 'precursor_dist_calc' - execute_on = 'timestep_end' - [../] -[] - -#[Debug] -# show_var_residual_norms = true -#[] - -[MultiApps] - [./loopApp] - type = TransientMultiApp - app_type = MoltresApp - execute_on = timestep_begin - positions = '100.0 100.0 0.0' - input_files = 'sub.i' - [../] -[] - -[Transfers] - [./from_loop] - type = MultiAppPostprocessorTransfer - multi_app = loopApp - from_postprocessor = loopEndTemp - to_postprocessor = inlet_mean_temp - direction = from_multiapp - reduction_type = maximum - [../] - [./to_loop] - type = MultiAppPostprocessorTransfer - multi_app = loopApp - from_postprocessor = coreEndTemp - to_postprocessor = coreEndTemp - direction = to_multiapp - [../] -[] \ No newline at end of file diff --git a/examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/sub.i b/examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/sub.i deleted file mode 100644 index 39ce1c6a..00000000 --- a/examples/MSRE_moltres/work_in_progress/NEWT_APPROACH/sub.i +++ /dev/null @@ -1,215 +0,0 @@ -flow_velocity=21.7 # cm/s. See MSRE-properties.ods -ini_temp=922 - -[GlobalParams] - num_groups = 2 - num_precursor_groups = 6 - group_fluxes = 'group1 group2' - temperature = temp - sss2_input = false - # pre_concs = 'pre1 pre2 pre3 pre4 pre5 pre6' - # account_delayed = true -[] - -[Mesh] - type = GeneratedMesh - dim = 1 - nx = 600 - xmax = 500 - elem_type = EDGE2 -[../] - -[Variables] - [temp] - initial_condition = ${ini_temp} - scaling = 1e-4 - family = MONOMIAL - order = CONSTANT - [] -[] - - -[AuxVariables] - [./group1] - order = FIRST - family = LAGRANGE - initial_condition = 0 - [../] - [./group2] - order = FIRST - family = LAGRANGE - initial_condition = 0 - [../] -[] - -[Precursors] - [./core] - var_name_base = pre - outlet_boundaries = 'right' - u_def = ${flow_velocity} - v_def = 0 - w_def = 0 - nt_exp_form = false - family = MONOMIAL - order = CONSTANT - loop_precursors = true - multi_app = loopApp - is_loopapp = true - inlet_boundaries = left - [../] -[] - -[Kernels] - # Temperature - [./temp_time_derivative] - type = MatINSTemperatureTimeDerivative - variable = temp - [../] - # [./temp_source_fuel] - # type = TransientFissionHeatSource - # variable = temp - # nt_scale=${nt_scale} - # [../] - # [./temp_source_mod] - # type = GammaHeatSource - # variable = temp - # gamma = .0144 # Cammi .0144 - # block = 'moder' - # average_fission_heat = 'average_fission_heat' - # [../] - # [./temp_diffusion] - # type = MatDiffusion - # diffusivity = 'k' - # variable = temp - # [../] - # [./temp_advection_fuel] - # type = ConservativeTemperatureAdvection - # velocity = '${flow_velocity} 0 0' - # variable = temp - # [../] -[] - -[DGKernels] - [./temp_adv] - type = DGTemperatureAdvection - variable = temp - velocity = '${flow_velocity} 0 0' - [../] -[] - - -[DiracKernels] - [./heat_exchanger] - type = DiracHX - variable = temp - power = 5e2 # see controls 4e3 - point = '250 0 0' - [../] -[] - - -[BCs] - [./fuel_bottoms_looped] - boundary = 'left' - type = PostprocessorTemperatureInflowBC - postprocessor = coreEndTemp - variable = temp - uu = ${flow_velocity} - [../] - # [./diri] - # boundary = 'left' - # type = DirichletBC - # variable = temp - # value = 930 - # [../] - [./temp_advection_outlet] - boundary = 'right' - type = TemperatureOutflowBC - variable = temp - velocity = '${flow_velocity} 0 0' - [../] -[] - - -[Materials] - [./fuel] - type = GenericMoltresMaterial - property_tables_root = './newt_msre_fuel_' - interp_type = 'spline' - block = '0' - prop_names = 'k cp' - prop_values = '.0553 1967' # Robertson MSRE technical report @ 922 K - [../] - [./rho_fuel] - type = DerivativeParsedMaterial - f_name = rho - function = '2.146e-3 * exp(-1.8 * 1.18e-4 * (temp - 922))' - coupled_variables = 'temp' - derivative_order = 1 - block = '0' - [../] -[] - - - - -[Executioner] - type = Transient - end_time = 10000 - - nl_rel_tol = 1e-6 - nl_abs_tol = 1e-6 - - solve_type = 'PJFNK' - petsc_options = '-snes_converged_reason -ksp_converged_reason -snes_linesearch_monitor' - petsc_options_iname = '-pc_type' - petsc_options_value = 'lu' - line_search = 'none' - - nl_max_its = 30 - l_max_its = 100 - - dtmin = 1e-5 - # dtmax = 1 - # dt = 1e-3 - [./TimeStepper] - type = IterationAdaptiveDT - dt = 1e-3 - cutback_factor = 0.4 - growth_factor = 1.2 - optimal_iterations = 20 - [../] -[] - -[Preconditioning] - [./SMP] - type = SMP - full = true - [../] -[] - -[Postprocessors] - [./temp_fuel] - type = ElementAverageValue - variable = temp - outputs = 'exodus console' - [../] - [./loopEndTemp] - type = SideAverageValue - variable = temp - boundary = 'right' - [../] - [./coreEndTemp] - type = Receiver - [../] -[] - -[Outputs] - #perf_graph = true - #print_linear_residuals = true - [./exodus] - type = Exodus - file_base = 'sub' - execute_on = 'timestep_begin' - [../] -[] diff --git a/examples/MSRE_moltres/work_in_progress/README.md b/examples/MSRE_moltres/work_in_progress/README.md deleted file mode 100644 index 0436d741..00000000 --- a/examples/MSRE_moltres/work_in_progress/README.md +++ /dev/null @@ -1,24 +0,0 @@ -Simulates a 2D MSRE-like system. - - uses multiapp to simulate primary loop as 1D problem - -# To simulate: - -1. Convert `mesh.i` into `mesh.e` (not certain how yet) - -2. Run the input file `precursor_dist_calc.i` in this directory: - `mpirun -np 8 moltres-opt -i precursor_dist_calc.i`. This will generate the - temperature and precursor distributions at steady-state. - -3. Run the `eigen_eval.i` input file to get the eigenvalue of that solve. Steps - 2 and 3 can be repeated for various `xsdata.json` files depending on the - DNP group parameters selected. - - -## Problem(s) -- The group fluxes are exceedingly small in `precursor_dist_calc`, which leads - to incorrect precursor distributions and temperatures. Potential solutions - are to assume a constant temperature profile, which may resolve this issue. - However, using a constant inlet temperature previously did not fix the - problem previously. Instead, a function should set an AuxVar temperature. - - diff --git a/examples/MSRE_moltres/work_in_progress/eigen_eval.i b/examples/MSRE_moltres/work_in_progress/eigen_eval.i deleted file mode 100644 index 76af2d9d..00000000 --- a/examples/MSRE_moltres/work_in_progress/eigen_eval.i +++ /dev/null @@ -1,249 +0,0 @@ -[GlobalParams] - num_groups = 2 - num_precursor_groups = 6 - use_exp_form = false - group_fluxes = 'group1 group2' - temperature = temp - sss2_input = false - pre_concs = 'pre1 pre2 pre3 pre4 pre5 pre6' - account_delayed = true - base_file = 'xsdata.json' -[] - -[Problem] - allow_initial_conditions_with_restart = true -[] - -[Mesh] - file = './precursor_dist_calc.e' -[../] - -[AuxVariables] - [./temp] - scaling = 1e-4 - initial_from_file_var = temp - initial_from_file_timestep = LATEST - [../] - [pre1] - family = MONOMIAL - order = CONSTANT - initial_from_file_var = pre1 - initial_from_file_timestep = LATEST - block = '0' - [] - [pre2] - family = MONOMIAL - order = CONSTANT - initial_from_file_var = pre2 - initial_from_file_timestep = LATEST - block = '0' - [] - [pre3] - family = MONOMIAL - order = CONSTANT - initial_from_file_var = pre3 - initial_from_file_timestep = LATEST - block = '0' - [] - [pre4] - family = MONOMIAL - order = CONSTANT - initial_from_file_var = pre4 - initial_from_file_timestep = LATEST - block = '0' - [] - [pre5] - family = MONOMIAL - order = CONSTANT - initial_from_file_var = pre5 - initial_from_file_timestep = LATEST - block = '0' - [] - [pre6] - family = MONOMIAL - order = CONSTANT - initial_from_file_var = pre6 - initial_from_file_timestep = LATEST - block = '0' - [] -[] - -[Variables] - [./group1] - order = FIRST - family = LAGRANGE - initial_from_file_var = group1 - initial_from_file_timestep = LATEST - scaling = 1e4 - [../] - [./group2] - order = FIRST - family = LAGRANGE - scaling = 1e4 - initial_from_file_var = group2 - initial_from_file_timestep = LATEST - [../] -[] - - -[Nt] - var_name_base = group - vacuum_boundaries = 'fuel_bottom fuel_top mod_bottom mod_top right' - pre_blocks = '0' - create_temperature_var = false - eigen = true -[] - - -[Materials] - [./fuel] - type = MoltresJsonMaterial - interp_type = LINEAR - block = '0' - material_key = 'fuel' - prop_names = 'k cp' - prop_values = '.0553 1967' # Robertson MSRE technical report @ 922 K - [../] - [./rho_fuel] - type = DerivativeParsedMaterial - f_name = rho - function = '2.146e-3 * exp(-1.8 * 1.18e-4 * (temp - 922))' - coupled_variables = 'temp' - derivative_order = 1 - block = '0' - [../] - [./moder] - type = MoltresJsonMaterial - interp_type = LINEAR - material_key = 'graphite' - prop_names = 'k cp' - prop_values = '.312 1760' # Cammi 2011 at 908 K - block = '1' - [../] - [./rho_moder] - type = DerivativeParsedMaterial - f_name = rho - function = '1.86e-3 * exp(-1.8 * 1.0e-5 * (temp - 922))' - coupled_variables = 'temp' - derivative_order = 1 - block = '1' - [../] -[] - - -[Executioner] - type = Eigenvalue - initial_eigenvalue = 1 - solve_type = 'PJFNK' - petsc_options = '-snes_converged_reason -ksp_converged_reason -snes_linesearch_monitor' - petsc_options_iname = '-pc_type -pc_hypre_type' - petsc_options_value = 'hypre boomeramg' - - automatic_scaling = true - compute_scaling_once = false - resid_vs_jac_scaling_param = 0.1 - - line_search = none -[] - - - - -[Postprocessors] - [pre1_integral] - type = ElementIntegralVariablePostprocessor - variable = pre1 - execute_on = linear - block = '0' - [] - [k_eff] - type = VectorPostprocessorComponent - index = 0 - vectorpostprocessor = k_vpp - vector_name = eigen_values_real - [] - [bnorm] - type = ElmIntegTotFissNtsPostprocessor - block = '0' - execute_on = linear - [] - [tot_fissions] - type = ElmIntegTotFissPostprocessor - execute_on = linear - [] - [powernorm] - type = ElmIntegTotFissHeatPostprocessor - execute_on = linear - [] - [group1norm] - type = ElementIntegralVariablePostprocessor - variable = group1 - execute_on = linear - [] - [group1max] - type = NodalExtremeValue - value_type = max - variable = group1 - execute_on = timestep_end - [] - [group1diff] - type = ElementL2Diff - variable = group1 - execute_on = 'linear timestep_end' - use_displaced_mesh = false - [] - [group2norm] - type = ElementIntegralVariablePostprocessor - variable = group2 - execute_on = linear - [] - [group2max] - type = NodalExtremeValue - value_type = max - variable = group2 - execute_on = timestep_end - [] - [group2diff] - type = ElementL2Diff - variable = group2 - execute_on = 'linear timestep_end' - use_displaced_mesh = false - [] - # MULTIAPP - [./inlet_mean_temp] - type = Receiver - initialize_old = true - execute_on = 'timestep_begin' - [../] -[] - -[VectorPostprocessors] - [k_vpp] - type = Eigenvalues - inverse_eigenvalue = false - [] - [centerline_flux] - type = LineValueSampler - variable = 'group1 group2' - start_point = '0 0 0' - end_point = '0 150 0' - num_points = 151 - sort_by = y - execute_on = FINAL - [] - [midplane_flux] - type = LineValueSampler - variable = 'group1 group2' - start_point = '0 75 0' - end_point = '69.375 75 0' - num_points = 100 - sort_by = x - execute_on = FINAL - [] -[] - -[Outputs] - [exodus] - type = Exodus - [] -[] \ No newline at end of file diff --git a/examples/MSRE_moltres/work_in_progress/mesh.e b/examples/MSRE_moltres/work_in_progress/mesh.e deleted file mode 100644 index 71f57bdd40bf28ca6d4307c9f18ce36b40ae99fe..0000000000000000000000000000000000000000 GIT binary patch literal 0 HcmV?d00001 literal 96556 zcmeF4dAwHh-oNj?ckNwCl8`AOBqU@`Hj+#UA)-m8XwpE4GH1>_lX)idOy-%)Gnwak zo`2W1)@N<&te&3RbDs13{>bk2x_sZ?>vQ+s?eBNpw~liXc0Y2|puuC4d86qpjdX*D z59URU7GmEd-S-|Mm5&`T7Q*&HnmyfNyF~`gO-zvSz{g!ubkr_5b2^op8MhuUq54 zaQ53bPxk8{nS9w&^M7^8udm?zvZb#7`Z~XCY2d#)zijb!e%a)8O<8MTo&lqW_1k;! zn6bk~jda!!DmJXR?|9alIrvsXhL0LBZrI4(`;8toY~;9p`-~bhh_l;|=ceS@`|vb^ z#zTe;=N{8RZsvS}5d$U+8{xCV^VW|CZ})LS(RDw+4Y?`hYj)xR958OYk4V-{EHxZA zY}|0aAU}MbYDNqmJG4V8=3&1KG)bP{eTI&T7y5OR2b$IkZk{554i 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z(3gJnX8`^z;bvP@qB5RWqH0vfpD7y2Op2MsZ06w4R@ke(%OX0^kxq1G1)JE+_x#8f zw*I-_aF-*wi&2bWtS_%JjcLLGG^H6WC}ue;c#C&f$toKb(TBeDqdx-}$YxtsqB2#f fMs;d1l9?1Ui`mR!?jL&>emAPf^$v8T6P^DB(;HgE diff --git a/examples/MSRE_moltres/work_in_progress/mesh.i b/examples/MSRE_moltres/work_in_progress/mesh.i deleted file mode 100644 index a610d995..00000000 --- a/examples/MSRE_moltres/work_in_progress/mesh.i +++ /dev/null @@ -1,119 +0,0 @@ -[Mesh] - [fuel_left] - type = GeneratedMeshGenerator - dim = 2 - xmin = 0 - xmax = 0.625 - ymin = 0 - ymax = 150 - nx = 2 - ny = 15 - [] - [fuel_right] - type = GeneratedMeshGenerator - dim = 2 - xmin = 4.375 - xmax = 5 - ymin = 0 - ymax = 150 - nx = 2 - ny = 15 - [] - [moderator] - type = GeneratedMeshGenerator - dim = 2 - xmin = 0.625 - xmax = 4.375 - ymin = 0 - ymax = 150 - nx = 6 - ny = 15 - [] - [unit_mesh] - type = StitchedMeshGenerator - inputs = 'fuel_left moderator fuel_right' - stitch_boundaries_pairs = 'right left; - right left; - right left' - [] - [mod_block] - type = SubdomainBoundingBoxGenerator - input = unit_mesh - block_id = 1 - bottom_left = '0.625 0 0' - top_right = '4.375 150 0' - [] - [patterned_mesh] - type = PatternedMeshGenerator - inputs = 'mod_block' - pattern = '0 0 0 0 0 0 0 0 0 0 0 0 0' - x_width = 5 - [] - [fuel_last] - type = GeneratedMeshGenerator - dim = 2 - xmin = 65 - xmax = 65.625 - ymin = 0 - ymax = 150 - nx = 2 - ny = 15 - [] - [mod_last] - type = GeneratedMeshGenerator - dim = 2 - xmin = 65.625 - xmax = 69.375 - ymin = 0 - ymax = 150 - nx = 6 - ny = 15 - [] - [full_mesh] - type = StitchedMeshGenerator - inputs = 'patterned_mesh fuel_last mod_last' - stitch_boundaries_pairs = 'right left; - right left; - right left' - [] - [mod_last_block] - type = SubdomainBoundingBoxGenerator - input = full_mesh - block_id = 1 - bottom_left = '65.625 0 0' - top_right = '69.375 150 0' - [] - [fuel_top_boundary] - type = SideSetsAroundSubdomainGenerator - input = mod_last_block - block = 0 - new_boundary = 'fuel_top' - normal = '0 1 0' - [] - [mod_top_boundary] - type = SideSetsAroundSubdomainGenerator - input = fuel_top_boundary - block = 1 - new_boundary = 'mod_top' - normal = '0 1 0' - [] - [fuel_bottom_boundary] - type = SideSetsAroundSubdomainGenerator - input = mod_top_boundary - block = 0 - new_boundary = 'fuel_bottom' - normal = '0 -1 0' - [] - [mod_bottom_boundary] - type = SideSetsAroundSubdomainGenerator - input = fuel_bottom_boundary - block = 1 - new_boundary = 'mod_bottom' - normal = '0 -1 0' - [] - [delete_boundaries] - type = BoundaryDeletionGenerator - input = mod_bottom_boundary - boundary_names = 'top bottom' - [] -[] diff --git a/examples/MSRE_moltres/work_in_progress/openmc/lattice-openmc-1200.py b/examples/MSRE_moltres/work_in_progress/openmc/lattice-openmc-1200.py deleted file mode 100644 index d5ad1b37..00000000 --- a/examples/MSRE_moltres/work_in_progress/openmc/lattice-openmc-1200.py +++ /dev/null @@ -1,111 +0,0 @@ -import openmc -import sys -import os -import matplotlib.pyplot as plt -import numpy as np -sys.path.insert(1, '/home/smpark/projects/moltres/python') -from moltres_xs import openmc_xs # noqa: E402 - -# %% Materials - -fuel = openmc.Material(material_id=101) -# Fuel composition at initial criticality (U235 = 65.25kg) -fuel_dens = 2.1838 -fuel.set_density('g/cm3', fuel_dens) -fuel_elements = {'Li7': 507.27 * .99995, - 'Li6': 507.27 * .00005, - 'Be': 293.96, - 'F': 3103.22, - 'Zr': 513.97, - 'U234': .67, - 'U235': 65.25, - 'U236': .27, - 'U238': 141.91} -total_fuel_weight = sum(fuel_elements.values()) -for i in fuel_elements.keys(): - if i == 'Zr' or i == 'F' or i == 'Be': - fuel.add_element(i, fuel_elements[i]/total_fuel_weight, 'wo') - else: - fuel.add_nuclide(i, fuel_elements[i]/total_fuel_weight, 'wo') -fuel.add_s_alpha_beta('c_Be') -fuel.temperature = 1200 - -graphite = openmc.Material(material_id=102) -graphite_dens = 1.85 -graphite.set_density('g/cm3', graphite_dens) -graphite.add_nuclide('C0', 1, 'wo') -graphite.add_s_alpha_beta('c_Graphite') -graphite.temperature = 1200 - -mats = openmc.Materials((fuel, graphite)) - -# %% Geometry - -bot_plane = openmc.YPlane(y0=0, boundary_type="reflective") -top_plane = openmc.YPlane(y0=1, boundary_type="reflective") -left_plane = openmc.XPlane(x0=0, boundary_type="reflective") -right_plane = openmc.XPlane(x0=5, boundary_type="reflective") -itf1_plane = openmc.XPlane(x0=.625, boundary_type="transmission") -itf2_plane = openmc.XPlane(x0=4.325, boundary_type="transmission") - -all_cells = [] - -left_fuel_cell = openmc.Cell(fill=fuel, cell_id=101) -left_fuel_cell.region = -top_plane & +bot_plane & +left_plane & -itf1_plane -all_cells.append(left_fuel_cell) - -graphite_cell = openmc.Cell(fill=graphite, cell_id=102) -graphite_cell.region = -top_plane & +bot_plane & +itf1_plane & -itf2_plane -all_cells.append(graphite_cell) - -right_fuel_cell = openmc.Cell(fill=fuel, cell_id=103) -right_fuel_cell.region = -top_plane & +bot_plane & +itf2_plane & -right_plane -all_cells.append(right_fuel_cell) - -universe = openmc.Universe(cells=all_cells) - -# %% Plot -universe.plot(origin=(2.5, 0.5, 0), - width=(5, 1), - color_by="material", - colors={fuel: "red", - graphite: "grey"}) - -# %% settings -batches = 100 -inactive = 20 -particles = 5000 - -settings = openmc.Settings() -box = openmc.stats.Box((0, 0, 0), (5, 1, 0)) -src = openmc.Source(space=box) -settings.source = src -settings.batches = batches -settings.inactive = inactive -settings.particles = particles -settings.output = {'tallies': False} -settings.temperature = {'multipole': True, - 'method': 'interpolation', - 'default': 1200.} - -# %% Moltres group constants -tallies_file = openmc.Tallies() -mats_id = [] -for m in mats: - mats_id.append(m.id) -domain_dict = openmc_xs.generate_openmc_tallies_xml( - [1e-5, 1e0, 1e8], - list(range(1, 7)), - mats, - mats_id, - tallies_file, -) - -# generate XML -mats.export_to_xml() - -geom = openmc.Geometry(universe) -geom.export_to_xml() - -settings.export_to_xml() -tallies_file.export_to_xml() diff --git a/examples/MSRE_moltres/work_in_progress/openmc/lattice-openmc-900.py b/examples/MSRE_moltres/work_in_progress/openmc/lattice-openmc-900.py deleted file mode 100644 index fa8f3756..00000000 --- a/examples/MSRE_moltres/work_in_progress/openmc/lattice-openmc-900.py +++ /dev/null @@ -1,111 +0,0 @@ -import openmc -import sys -import os -import matplotlib.pyplot as plt -import numpy as np -sys.path.insert(1, '/home/smpark/projects/moltres/python') -from moltres_xs import openmc_xs # noqa: E402 - -# %% Materials - -fuel = openmc.Material(material_id=101) -# Fuel composition at initial criticality (U235 = 65.25kg) -fuel_dens = 2.3275 -fuel.set_density('g/cm3', 2.3275) -fuel_elements = {'Li7': 507.27 * .99995, - 'Li6': 507.27 * .00005, - 'Be': 293.96, - 'F': 3103.22, - 'Zr': 513.97, - 'U234': .67, - 'U235': 65.25, - 'U236': .27, - 'U238': 141.91} -total_fuel_weight = sum(fuel_elements.values()) -for i in fuel_elements.keys(): - if i == 'Zr' or i == 'F' or i == 'Be': - fuel.add_element(i, fuel_elements[i]/total_fuel_weight, 'wo') - else: - fuel.add_nuclide(i, fuel_elements[i]/total_fuel_weight, 'wo') -fuel.add_s_alpha_beta('c_Be') -fuel.temperature = 900 - -graphite = openmc.Material(material_id=102) -graphite_dens = 1.86 -graphite.set_density('g/cm3', graphite_dens) -graphite.add_nuclide('C0', 1, 'wo') -graphite.add_s_alpha_beta('c_Graphite') -graphite.temperature = 900 - -mats = openmc.Materials((fuel, graphite)) - -# %% Geometry - -bot_plane = openmc.YPlane(y0=0, boundary_type="reflective") -top_plane = openmc.YPlane(y0=1, boundary_type="reflective") -left_plane = openmc.XPlane(x0=0, boundary_type="reflective") -right_plane = openmc.XPlane(x0=5, boundary_type="reflective") -itf1_plane = openmc.XPlane(x0=.625, boundary_type="transmission") -itf2_plane = openmc.XPlane(x0=4.325, boundary_type="transmission") - -all_cells = [] - -left_fuel_cell = openmc.Cell(fill=fuel, cell_id=101) -left_fuel_cell.region = -top_plane & +bot_plane & +left_plane & -itf1_plane -all_cells.append(left_fuel_cell) - -graphite_cell = openmc.Cell(fill=graphite, cell_id=102) -graphite_cell.region = -top_plane & +bot_plane & +itf1_plane & -itf2_plane -all_cells.append(graphite_cell) - -right_fuel_cell = openmc.Cell(fill=fuel, cell_id=103) -right_fuel_cell.region = -top_plane & +bot_plane & +itf2_plane & -right_plane -all_cells.append(right_fuel_cell) - -universe = openmc.Universe(cells=all_cells) - -# %% Plot -universe.plot(origin=(2.5, 0.5, 0), - width=(5, 1), - color_by="material", - colors={fuel: "red", - graphite: "grey"}) - -# %% settings -batches = 100 -inactive = 20 -particles = 5000 - -settings = openmc.Settings() -box = openmc.stats.Box((0, 0, 0), (5, 1, 0)) -src = openmc.Source(space=box) -settings.source = src -settings.batches = batches -settings.inactive = inactive -settings.particles = particles -settings.output = {'tallies': False} -settings.temperature = {'multipole': True, - 'method': 'interpolation', - 'default': 900.} - -# %% Moltres group constants -tallies_file = openmc.Tallies() -mats_id = [] -for m in mats: - mats_id.append(m.id) -domain_dict = openmc_xs.generate_openmc_tallies_xml( - [1e-5, 1e0, 1e8], - list(range(1, 7)), - mats, - mats_id, - tallies_file, -) - -# generate XML -mats.export_to_xml() - -geom = openmc.Geometry(universe) -geom.export_to_xml() - -settings.export_to_xml() -tallies_file.export_to_xml() diff --git a/examples/MSRE_moltres/work_in_progress/openmc/xsdata.inp b/examples/MSRE_moltres/work_in_progress/openmc/xsdata.inp deleted file mode 100644 index bf4fcb39..00000000 --- a/examples/MSRE_moltres/work_in_progress/openmc/xsdata.inp +++ /dev/null @@ -1,21 +0,0 @@ -[TITLE] - xsdata.json - -[MAT] - 2 - fuel graphite - -[BRANCH] - 6 - fuel 600 1 1 101 1 - fuel 900 2 1 101 1 - fuel 1200 3 1 101 1 - graphite 600 1 1 102 1 - graphite 900 2 1 102 1 - graphite 1200 3 1 102 1 - -[FILES] - 3 - statepoint-600.100.h5 openmc lattice-openmc-600.py summary-600.h5 - statepoint-900.100.h5 openmc lattice-openmc-900.py summary-900.h5 - statepoint-1200.100.h5 openmc lattice-openmc-1200.py summary-1200.h5 diff --git a/examples/MSRE_moltres/work_in_progress/precursor_dist_calc.i b/examples/MSRE_moltres/work_in_progress/precursor_dist_calc.i deleted file mode 100644 index dbb1c419..00000000 --- a/examples/MSRE_moltres/work_in_progress/precursor_dist_calc.i +++ /dev/null @@ -1,266 +0,0 @@ -flow_velocity=21.7 # cm/s. See MSRE-properties.ods -nt_scale=1 -ini_temp=922 - -[GlobalParams] - num_groups = 2 - num_precursor_groups = 6 - use_exp_form = false - group_fluxes = 'group1 group2' - temperature = temp - sss2_input = false - pre_concs = 'pre1 pre2 pre3 pre4 pre5 pre6' - account_delayed = true - base_file = 'xsdata.json' -[] - -[Mesh] - coord_type = RZ - [mesh] - type = FileMeshGenerator - file = 'mesh.e' - [] -[] - -[Nt] - var_name_base = group - vacuum_boundaries = 'fuel_bottom fuel_top mod_bottom mod_top right' - create_temperature_var = false - pre_blocks = '0' -[] - -[Variables] - [./temp] - initial_condition = ${ini_temp} - [../] -[] - -[Precursors] - [./core] - var_name_base = pre - block = '0' - outlet_boundaries = 'fuel_top' - u_def = 0 - v_def = ${flow_velocity} - w_def = 0 - nt_exp_form = false - family = MONOMIAL - order = CONSTANT - loop_precursors = true - multi_app = loopApp - is_loopapp = false - inlet_boundaries = 'fuel_bottom' - [../] -[] - -[Kernels] - # Temperature - [./temp_time_derivative] - type = MatINSTemperatureTimeDerivative - variable = temp - [../] - [./temp_source_fuel] - type = TransientFissionHeatSource - variable = temp - nt_scale=${nt_scale} - block = '0' - [../] - [./temp_diffusion] - type = MatDiffusion - diffusivity = 'k' - variable = temp - [../] - [./temp_advection_fuel] - type = ConservativeTemperatureAdvection - velocity = '0 ${flow_velocity} 0' - variable = temp - block = '0' - [../] -[] - -[BCs] - [./fuel_bottom_looped] - boundary = 'fuel_bottom right' - type = PostprocessorDirichletBC - postprocessor = inlet_mean_temp - variable = temp - [../] - [./temp_advection_outlet] - boundary = 'fuel_top' - type = TemperatureOutflowBC - variable = temp - velocity = '0 ${flow_velocity} 0' - [../] - #[temp_inlet] - # boundary = 'fuel_bottom' - # type = DirichletBC - # variable = temp - # value = ${ini_temp} - #[] -[] - -[Materials] - [./fuel] - type = MoltresJsonMaterial - interp_type = LINEAR - block = '0' - material_key = 'fuel' - prop_names = 'k cp' - prop_values = '.0553 1967' # Robertson MSRE technical report @ 922 K - [../] - [./rho_fuel] - type = DerivativeParsedMaterial - f_name = rho - function = '2.146e-3 * exp(-1.8 * 1.18e-4 * (temp - 922))' - coupled_variables = 'temp' - derivative_order = 1 - block = '0' - [../] - [./moder] - type = MoltresJsonMaterial - interp_type = LINEAR - material_key = 'graphite' - prop_names = 'k cp' - prop_values = '.312 1760' # Cammi 2011 at 908 K - block = '1' - [../] - [./rho_moder] - type = DerivativeParsedMaterial - f_name = rho - function = '1.86e-3 * exp(-1.8 * 1.0e-5 * (temp - 922))' - coupled_variables = 'temp' - derivative_order = 1 - block = '1' - [../] -[] - -[Executioner] - type = Transient - end_time = 11000 - compute_scaling_once = false - automatic_scaling = true - scaling_group_variables = 'group1 group2; pre1 pre2 pre3 pre4 pre5 pre6; temp' - - nl_rel_tol = 1e-5 - nl_abs_tol = 1e-5 - - solve_type = 'PJFNK' - petsc_options = '-snes_converged_reason -ksp_converged_reason -snes_linesearch_monitor' - petsc_options_iname = '-pc_type' - petsc_options_value = 'lu' - line_search = 'none' - - nl_max_its = 30 - l_max_its = 100 - - dtmin = 1e-5 - # dtmax = 1 - # dt = 1e-3 - [./TimeStepper] - type = IterationAdaptiveDT - dt = 1e-3 - cutback_factor = 0.4 - growth_factor = 1.2 - optimal_iterations = 20 - [../] -[] - -[Preconditioning] - [./SMP] - type = SMP - full = true - [../] -[] - -[Postprocessors] - [tot_fissions] - type = ElmIntegTotFissPostprocessor - execute_on = linear - [] - [powernorm] - type = ElmIntegTotFissHeatPostprocessor - execute_on = linear - [] - [pre1_integral] - type = ElementIntegralVariablePostprocessor - variable = pre1 - execute_on = linear - block = '0' - [] - [./group1_current] - type = IntegralNewVariablePostprocessor - variable = group1 - outputs = 'console exodus' - [../] - [./group1_old] - type = IntegralOldVariablePostprocessor - variable = group1 - outputs = 'console exodus' - [../] - [./multiplication] - type = DivisionPostprocessor - value1 = group1_current - value2 = group1_old - outputs = 'console exodus' - [../] - [./temp_fuel] - type = ElementAverageValue - variable = temp - block = '0' - outputs = 'exodus console' - [../] - [./coreEndTemp] - type = SideAverageValue - variable = temp - boundary = 'fuel_top' - outputs = 'exodus console' - [../] - # MULTIAPP - [./inlet_mean_temp] - type = Receiver - initialize_old = true - execute_on = 'timestep_begin' - [../] -[] - -[Outputs] - #perf_graph = true - #print_linear_residuals = true - [./exodus] - type = Exodus - file_base = 'precursor_dist_calc' - execute_on = 'timestep_end' - [../] -[] - -#[Debug] -# show_var_residual_norms = true -#[] - -[MultiApps] - [./loopApp] - type = TransientMultiApp - app_type = MoltresApp - execute_on = timestep_begin - positions = '100.0 100.0 0.0' - input_files = 'sub.i' - [../] -[] - -[Transfers] - [./from_loop] - type = MultiAppPostprocessorTransfer - multi_app = loopApp - from_postprocessor = loopEndTemp - to_postprocessor = inlet_mean_temp - direction = from_multiapp - reduction_type = maximum - [../] - [./to_loop] - type = MultiAppPostprocessorTransfer - multi_app = loopApp - from_postprocessor = coreEndTemp - to_postprocessor = coreEndTemp - direction = to_multiapp - [../] -[] \ No newline at end of file diff --git a/examples/MSRE_moltres/work_in_progress/sub.i b/examples/MSRE_moltres/work_in_progress/sub.i deleted file mode 100644 index ced77a53..00000000 --- a/examples/MSRE_moltres/work_in_progress/sub.i +++ /dev/null @@ -1,216 +0,0 @@ -flow_velocity=21.7 # cm/s. See MSRE-properties.ods -ini_temp=922 - -[GlobalParams] - num_groups = 2 - num_precursor_groups = 6 - group_fluxes = 'group1 group2' - temperature = temp - sss2_input = false - # pre_concs = 'pre1 pre2 pre3 pre4 pre5 pre6' - # account_delayed = true - base_file = 'xsdata.json' -[] - -[Mesh] - type = GeneratedMesh - dim = 1 - nx = 600 - xmax = 500 - elem_type = EDGE2 -[../] - -[Variables] - [temp] - initial_condition = ${ini_temp} - scaling = 1e-4 - family = MONOMIAL - order = CONSTANT - [] -[] - - -[AuxVariables] - [./group1] - order = FIRST - family = LAGRANGE - initial_condition = 0 - [../] - [./group2] - order = FIRST - family = LAGRANGE - initial_condition = 0 - [../] -[] - -[Precursors] - [./core] - var_name_base = pre - outlet_boundaries = 'right' - u_def = ${flow_velocity} - v_def = 0 - w_def = 0 - nt_exp_form = false - family = MONOMIAL - order = CONSTANT - loop_precursors = true - multi_app = loopApp - is_loopapp = true - inlet_boundaries = left - [../] -[] - -[Kernels] - # Temperature - [./temp_time_derivative] - type = MatINSTemperatureTimeDerivative - variable = temp - [../] - # [./temp_source_fuel] - # type = TransientFissionHeatSource - # variable = temp - # nt_scale=${nt_scale} - # [../] - # [./temp_source_mod] - # type = GammaHeatSource - # variable = temp - # gamma = .0144 # Cammi .0144 - # block = 'moder' - # average_fission_heat = 'average_fission_heat' - # [../] - # [./temp_diffusion] - # type = MatDiffusion - # diffusivity = 'k' - # variable = temp - # [../] - # [./temp_advection_fuel] - # type = ConservativeTemperatureAdvection - # velocity = '${flow_velocity} 0 0' - # variable = temp - # [../] -[] - -[DGKernels] - [./temp_adv] - type = DGTemperatureAdvection - variable = temp - velocity = '${flow_velocity} 0 0' - [../] -[] - - -[DiracKernels] - [./heat_exchanger] - type = DiracHX - variable = temp - power = 5e2 # see controls 4e3 - point = '250 0 0' - [../] -[] - - -[BCs] - [./fuel_bottoms_looped] - boundary = 'left' - type = PostprocessorTemperatureInflowBC - postprocessor = coreEndTemp - variable = temp - uu = ${flow_velocity} - [../] - # [./diri] - # boundary = 'left' - # type = DirichletBC - # variable = temp - # value = 930 - # [../] - [./temp_advection_outlet] - boundary = 'right' - type = TemperatureOutflowBC - variable = temp - velocity = '${flow_velocity} 0 0' - [../] -[] - - -[Materials] - [./fuel] - type = MoltresJsonMaterial - interp_type = LINEAR - block = '0' - material_key = 'fuel' - prop_names = 'k cp' - prop_values = '.0553 1967' # Robertson MSRE technical report @ 922 K - [../] - [./rho_fuel] - type = DerivativeParsedMaterial - f_name = rho - function = '2.146e-3 * exp(-1.8 * 1.18e-4 * (temp - 922))' - coupled_variables = 'temp' - derivative_order = 1 - block = '0' - [../] -[] - - - - -[Executioner] - type = Transient - end_time = 10000 - - nl_rel_tol = 1e-6 - nl_abs_tol = 1e-6 - - solve_type = 'PJFNK' - petsc_options = '-snes_converged_reason -ksp_converged_reason -snes_linesearch_monitor' - petsc_options_iname = '-pc_type' - petsc_options_value = 'lu' - line_search = 'none' - - nl_max_its = 30 - l_max_its = 100 - - dtmin = 1e-5 - # dtmax = 1 - # dt = 1e-3 - [./TimeStepper] - type = IterationAdaptiveDT - dt = 1e-3 - cutback_factor = 0.4 - growth_factor = 1.2 - optimal_iterations = 20 - [../] -[] - -[Preconditioning] - [./SMP] - type = SMP - full = true - [../] -[] - -[Postprocessors] - [./temp_fuel] - type = ElementAverageValue - variable = temp - outputs = 'exodus console' - [../] - [./loopEndTemp] - type = SideAverageValue - variable = temp - boundary = 'right' - [../] - [./coreEndTemp] - type = Receiver - [../] -[] - -[Outputs] - #perf_graph = true - #print_linear_residuals = true - [./exodus] - type = Exodus - file_base = 'sub' - execute_on = 'timestep_begin' - [../] -[] diff --git a/examples/MSRE_moltres/work_in_progress/xsdata.json b/examples/MSRE_moltres/work_in_progress/xsdata.json deleted file mode 100644 index 79a40f30..00000000 --- a/examples/MSRE_moltres/work_in_progress/xsdata.json +++ /dev/null @@ -1,254 +0,0 @@ -{ - "fuel": { - "1200": { - "BETA_EFF": [ - 0.0002277457985755817, - 0.001175953936287144, - 0.001122899686947293, - 0.0025185457823096763, - 0.0010335262005859403, - 0.000432906891914749 - ], - "CHI_D": [ - 1.0, - 0.0 - ], - "CHI_P": [ - 1.000000000000002, - 0.0 - ], - "CHI_T": [ - 1.000000000000002, - 0.0 - ], - "DECAY_CONSTANT": [ - 0.013336173738466496, - 0.03273766318534082, - 0.12078297428985452, - 0.3028119739528521, - 0.8496285271699455, - 2.853461589180639 - ], - "DIFFCOEF": [ - 1.2373577015652222, - 1.209254649126858 - ], - "FISSE": [ - 193.42838568727154, - 193.40539888327484 - ], - "FISSXS": [ - 0.0011336859306396857, - 0.015903113816825003 - ], - "GTRANSFXS": [ - 0.28232658460727145, - 0.0023315741959214153, - 0.0008067853992223988, - 0.26489528474094126 - ], - "NSF": [ - 0.002765832066202944, - 0.038751115727496586 - ], - "RECIPVEL": [ - 8.835315199414271e-08, - 1.7815658522622594e-06 - ], - "REMXS": [ - 0.006249461369997742, - 0.02097858754400914 - ] - }, - "900": { - "BETA_EFF": [ - 0.00022774706889848199, - 0.0011759746253987118, - 0.0011229276137116257, - 0.0025186405498976347, - 0.0010335988292853528, - 0.00043293613210359735 - ], - "CHI_D": [ - 1.0, - 0.0 - ], - "CHI_P": [ - 1.0000000000000024, - 0.0 - ], - "CHI_T": [ - 1.0000000000000022, - 0.0 - ], - "DECAY_CONSTANT": [ - 0.01333617987864215, - 0.03273761603829335, - 0.12078307902431046, - 0.3028131001377893, - 0.8496334014889568, - 2.8534778342055067 - ], - "DIFFCOEF": [ - 1.1627818933613308, - 1.1278195077234483 - ], - "FISSE": [ - 193.42849450302552, - 193.4053988478859 - ], - "FISSXS": [ - 0.001199911896890515, - 0.01882352584300716 - ], - "GTRANSFXS": [ - 0.30086849301151936, - 0.002276926569587877, - 0.0005664067999404495, - 0.2817132268671983 - ], - "NSF": [ - 0.0029274165561535307, - 0.04586728338630509 - ], - "RECIPVEL": [ - 8.683303370845724e-08, - 1.959654853362906e-06 - ], - "REMXS": [ - 0.006341844392102427, - 0.024374437086619367 - ] - }, - "temp": [ - 900, - 1200 - ] - }, - "graphite": { - "1200": { - "BETA_EFF": [ - 0.0, - 0.0, - 0.0, - 0.0, - 0.0, - 0.0 - ], - "CHI_D": [ - 0.0, - 0.0 - ], - "CHI_P": [ - 0.0, - 0.0 - ], - "CHI_T": [ - 0.0, - 0.0 - ], - "DECAY_CONSTANT": [ - 0.0, - 0.0, - 0.0, - 0.0, - 0.0, - 0.0 - ], - "DIFFCOEF": [ - 0.8919731960038182, - 0.7661053068301372 - ], - "FISSE": [ - 0.0, - 0.0 - ], - "FISSXS": [ - 0.0, - 0.0 - ], - "GTRANSFXS": [ - 0.395683317823888, - 0.004554671253125907, - 0.0013296487931512056, - 0.4493198271747635 - ], - "NSF": [ - 0.0, - 0.0 - ], - "RECIPVEL": [ - 9.07328074109551e-08, - 1.7949388813637412e-06 - ], - "REMXS": [ - 0.0045677578726348155, - 0.001471147927082403 - ] - }, - "900": { - "BETA_EFF": [ - 0.0, - 0.0, - 0.0, - 0.0, - 0.0, - 0.0 - ], - "CHI_D": [ - 0.0, - 0.0 - ], - "CHI_P": [ - 0.0, - 0.0 - ], - "CHI_T": [ - 0.0, - 0.0 - ], - "DECAY_CONSTANT": [ - 0.0, - 0.0, - 0.0, - 0.0, - 0.0, - 0.0 - ], - "DIFFCOEF": [ - 0.8869600591072024, - 0.7613360009743724 - ], - "FISSE": [ - 0.0, - 0.0 - ], - "FISSXS": [ - 0.0, - 0.0 - ], - "GTRANSFXS": [ - 0.3983062941158192, - 0.004217636182651994, - 0.0008270293820712829, - 0.45098273321628635 - ], - "NSF": [ - 0.0, - 0.0 - ], - "RECIPVEL": [ - 8.920874121462355e-08, - 1.977592154310938e-06 - ], - "REMXS": [ - 0.0042306445561037034, - 0.0009837700248775591 - ] - }, - "temp": [ - 900, - 1200 - ] - } -} \ No newline at end of file diff --git a/examples/MSRE_moltres/work_in_progress/xsdata_mod.json b/examples/MSRE_moltres/work_in_progress/xsdata_mod.json deleted file mode 100644 index 448a4721..00000000 --- a/examples/MSRE_moltres/work_in_progress/xsdata_mod.json +++ /dev/null @@ -1,254 +0,0 @@ -{ - "fuel": { - "1200": { - "BETA_EFF": [ - 0.0002277457985755817, - 0.001175953936287144, - 0.001122899686947293, - 0.0025185457823096763, - 0.0010335262005859403, - 0.000432906891914749 - ], - "CHI_D": [ - 1.0, - 0.0 - ], - "CHI_P": [ - 1.000000000000002, - 0.0 - ], - "CHI_T": [ - 1.000000000000002, - 0.0 - ], - "DECAY_CONSTANT": [ - 0.013336173738466496, - 0.03273766318534082, - 0.12078297428985452, - 0.3028119739528521, - 0.8496285271699455, - 2.853461589180639 - ], - "DIFFCOEF": [ - 1.2373577015652222, - 1.209254649126858 - ], - "FISSE": [ - 193.42838568727154, - 193.40539888327484 - ], - "FISSXS": [ - 0.0011336859306396857, - 0.015903113816825003 - ], - "GTRANSFXS": [ - 0.28232658460727145, - 0.0023315741959214153, - 0.0008067853992223988, - 0.26489528474094126 - ], - "NSF": [ - 0.002765832066202944, - 0.038751115727496586 - ], - "RECIPVEL": [ - 8.835315199414271e-08, - 1.7815658522622594e-06 - ], - "REMXS": [ - 0.006249461369997742, - 0.02097858754400914 - ] - }, - "900": { - "BETA_EFF": [ - 0.00022774706889848199, - 0.0011759746253987118, - 0.0011229276137116257, - 0.0025186405498976347, - 0.0010335988292853528, - 0.00043293613210359735 - ], - "CHI_D": [ - 1.0, - 0.0 - ], - "CHI_P": [ - 1.0000000000000024, - 0.0 - ], - "CHI_T": [ - 1.0000000000000022, - 0.0 - ], - "DECAY_CONSTANT": [ - 0.01333617987864215, - 0.03273761603829335, - 0.12078307902431046, - 0.3028131001377893, - 0.8496334014889568, - 2.8534778342055067 - ], - "DIFFCOEF": [ - 1.1627818933613308, - 1.1278195077234483 - ], - "FISSE": [ - 193.42849450302552, - 193.4053988478859 - ], - "FISSXS": [ - 1.199911896890515, - 1.882352584300716 - ], - "GTRANSFXS": [ - 0.30086849301151936, - 0.002276926569587877, - 0.0005664067999404495, - 0.2817132268671983 - ], - "NSF": [ - 0.0029274165561535307, - 0.04586728338630509 - ], - "RECIPVEL": [ - 8.683303370845724e-08, - 1.959654853362906e-06 - ], - "REMXS": [ - 0.006341844392102427, - 0.024374437086619367 - ] - }, - "temp": [ - 900, - 1200 - ] - }, - "graphite": { - "1200": { - "BETA_EFF": [ - 0.0, - 0.0, - 0.0, - 0.0, - 0.0, - 0.0 - ], - "CHI_D": [ - 0.0, - 0.0 - ], - "CHI_P": [ - 0.0, - 0.0 - ], - "CHI_T": [ - 0.0, - 0.0 - ], - "DECAY_CONSTANT": [ - 0.0, - 0.0, - 0.0, - 0.0, - 0.0, - 0.0 - ], - "DIFFCOEF": [ - 0.8919731960038182, - 0.7661053068301372 - ], - "FISSE": [ - 0.0, - 0.0 - ], - "FISSXS": [ - 0.0, - 0.0 - ], - "GTRANSFXS": [ - 0.395683317823888, - 0.004554671253125907, - 0.0013296487931512056, - 0.4493198271747635 - ], - "NSF": [ - 0.0, - 0.0 - ], - "RECIPVEL": [ - 9.07328074109551e-08, - 1.7949388813637412e-06 - ], - "REMXS": [ - 0.0045677578726348155, - 0.001471147927082403 - ] - }, - "900": { - "BETA_EFF": [ - 0.0, - 0.0, - 0.0, - 0.0, - 0.0, - 0.0 - ], - "CHI_D": [ - 0.0, - 0.0 - ], - "CHI_P": [ - 0.0, - 0.0 - ], - "CHI_T": [ - 0.0, - 0.0 - ], - "DECAY_CONSTANT": [ - 0.0, - 0.0, - 0.0, - 0.0, - 0.0, - 0.0 - ], - "DIFFCOEF": [ - 0.8869600591072024, - 0.7613360009743724 - ], - "FISSE": [ - 0.0, - 0.0 - ], - "FISSXS": [ - 0.0, - 0.0 - ], - "GTRANSFXS": [ - 0.3983062941158192, - 0.004217636182651994, - 0.0008270293820712829, - 0.45098273321628635 - ], - "NSF": [ - 0.0, - 0.0 - ], - "RECIPVEL": [ - 8.920874121462355e-08, - 1.977592154310938e-06 - ], - "REMXS": [ - 0.0042306445561037034, - 0.0009837700248775591 - ] - }, - "temp": [ - 900, - 1200 - ] - } -} \ No newline at end of file diff --git a/examples/MSRE_moltres/work_in_progress/xsdata_noDNP.json b/examples/MSRE_moltres/work_in_progress/xsdata_noDNP.json deleted file mode 100644 index c6dc45d3..00000000 --- a/examples/MSRE_moltres/work_in_progress/xsdata_noDNP.json +++ /dev/null @@ -1,244 +0,0 @@ -{ - "fuel": { - "1200": { - "BETA_EFF": [ - 0,0,0,0,0,0 - ], - "CHI_D": [ - 1.0, - 0.0 - ], - "CHI_P": [ - 1.000000000000002, - 0.0 - ], - "CHI_T": [ - 1.000000000000002, - 0.0 - ], - "DECAY_CONSTANT": [ - 0.013336173738466496, - 0.03273766318534082, - 0.12078297428985452, - 0.3028119739528521, - 0.8496285271699455, - 2.853461589180639 - ], - "DIFFCOEF": [ - 1.2373577015652222, - 1.209254649126858 - ], - "FISSE": [ - 193.42838568727154, - 193.40539888327484 - ], - "FISSXS": [ - 0.0011336859306396857, - 0.015903113816825003 - ], - "GTRANSFXS": [ - 0.28232658460727145, - 0.0023315741959214153, - 0.0008067853992223988, - 0.26489528474094126 - ], - "NSF": [ - 0.002765832066202944, - 0.038751115727496586 - ], - "RECIPVEL": [ - 8.835315199414271e-08, - 1.7815658522622594e-06 - ], - "REMXS": [ - 0.006249461369997742, - 0.02097858754400914 - ] - }, - "900": { - "BETA_EFF": [ - 0,0,0,0,0,0 - ], - "CHI_D": [ - 1.0, - 0.0 - ], - "CHI_P": [ - 1.0000000000000024, - 0.0 - ], - "CHI_T": [ - 1.0000000000000022, - 0.0 - ], - "DECAY_CONSTANT": [ - 0.01333617987864215, - 0.03273761603829335, - 0.12078307902431046, - 0.3028131001377893, - 0.8496334014889568, - 2.8534778342055067 - ], - "DIFFCOEF": [ - 1.1627818933613308, - 1.1278195077234483 - ], - "FISSE": [ - 193.42849450302552, - 193.4053988478859 - ], - "FISSXS": [ - 0.001199911896890515, - 0.01882352584300716 - ], - "GTRANSFXS": [ - 0.30086849301151936, - 0.002276926569587877, - 0.0005664067999404495, - 0.2817132268671983 - ], - "NSF": [ - 0.0029274165561535307, - 0.04586728338630509 - ], - "RECIPVEL": [ - 8.683303370845724e-08, - 1.959654853362906e-06 - ], - "REMXS": [ - 0.006341844392102427, - 0.024374437086619367 - ] - }, - "temp": [ - 900, - 1200 - ] - }, - "graphite": { - "1200": { - "BETA_EFF": [ - 0.0, - 0.0, - 0.0, - 0.0, - 0.0, - 0.0 - ], - "CHI_D": [ - 0.0, - 0.0 - ], - "CHI_P": [ - 0.0, - 0.0 - ], - "CHI_T": [ - 0.0, - 0.0 - ], - "DECAY_CONSTANT": [ - 0.0, - 0.0, - 0.0, - 0.0, - 0.0, - 0.0 - ], - "DIFFCOEF": [ - 0.8919731960038182, - 0.7661053068301372 - ], - "FISSE": [ - 0.0, - 0.0 - ], - "FISSXS": [ - 0.0, - 0.0 - ], - "GTRANSFXS": [ - 0.395683317823888, - 0.004554671253125907, - 0.0013296487931512056, - 0.4493198271747635 - ], - "NSF": [ - 0.0, - 0.0 - ], - "RECIPVEL": [ - 9.07328074109551e-08, - 1.7949388813637412e-06 - ], - "REMXS": [ - 0.0045677578726348155, - 0.001471147927082403 - ] - }, - "900": { - "BETA_EFF": [ - 0.0, - 0.0, - 0.0, - 0.0, - 0.0, - 0.0 - ], - "CHI_D": [ - 0.0, - 0.0 - ], - "CHI_P": [ - 0.0, - 0.0 - ], - "CHI_T": [ - 0.0, - 0.0 - ], - "DECAY_CONSTANT": [ - 0.0, - 0.0, - 0.0, - 0.0, - 0.0, - 0.0 - ], - "DIFFCOEF": [ - 0.8869600591072024, - 0.7613360009743724 - ], - "FISSE": [ - 0.0, - 0.0 - ], - "FISSXS": [ - 0.0, - 0.0 - ], - "GTRANSFXS": [ - 0.3983062941158192, - 0.004217636182651994, - 0.0008270293820712829, - 0.45098273321628635 - ], - "NSF": [ - 0.0, - 0.0 - ], - "RECIPVEL": [ - 8.920874121462355e-08, - 1.977592154310938e-06 - ], - "REMXS": [ - 0.0042306445561037034, - 0.0009837700248775591 - ] - }, - "temp": [ - 900, - 1200 - ] - } -} \ No newline at end of file From 07721b923fcf4b04439cb7ee4a409e50381dc645 Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Fri, 15 May 2026 15:49:06 -0500 Subject: [PATCH 252/259] Add moltres example readme --- examples/MSRE_moltres/README.md | 23 +++++++++++++++++++++++ 1 file changed, 23 insertions(+) create mode 100644 examples/MSRE_moltres/README.md diff --git a/examples/MSRE_moltres/README.md b/examples/MSRE_moltres/README.md new file mode 100644 index 00000000..46cc3531 --- /dev/null +++ b/examples/MSRE_moltres/README.md @@ -0,0 +1,23 @@ +# Moltres MSRE-like example + +To run with Moltres, first edit the necessary data. + +The data that will need to be changed is `msre_gentry_4g_fuel_rod0_BETA_EFF` and +`msre_gentry_4g_fuel_rod0_LAMBDA`. +If using a different number of groups, then the `moder` values will also have +to be changed so that there are the same number of groups. +To convert MoSDeN delayed neutron yields to betas, simply divide by 2.4355 (for +thermal U235, for others see https://nds.iaea.org/sgnucdat/a6.htm). +The `data` directory provides several different possible values, simply rename +those files to use them instead. +Once the data is configured, Moltres can be run. + +If running a stationary problem, set the flow rate in the input files to zero. +Use `mpirun -np 8 ~/projects/moltres/moltres-opt -i auto_diff_rho.i` to run +the main input file. +Once it has finished, run +`mpirun -np 8 ~/projects/moltres/moltres-opt no_dnp_sim.i` to get the keff for +the problem with no delayed neutrons. +This can be used to calculate the effective delayed neutron fraction using the +prompt fission method: +$$\beta_{eff} \approx 1 - \frac{k_p}{k}$$ \ No newline at end of file From 2a234f0baf350a244cd19e30a6d2487a6c6cafd2 Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Mon, 18 May 2026 08:49:37 -0500 Subject: [PATCH 253/259] Add 12g no repr dnp data --- .../msre_gentry_4g_fuel_rod0_BETA_EFF.txt | 30 +++++++++---------- ...e_gentry_4g_fuel_rod0_BETA_EFF_none_12.txt | 15 ++++++++++ .../data/msre_gentry_4g_fuel_rod0_LAMBDA.txt | 30 +++++++++---------- ...sre_gentry_4g_fuel_rod0_LAMBDA_none_12.txt | 15 ++++++++++ 4 files changed, 60 insertions(+), 30 deletions(-) create mode 100644 examples/MSRE_moltres/data/msre_gentry_4g_fuel_rod0_BETA_EFF_none_12.txt create mode 100644 examples/MSRE_moltres/data/msre_gentry_4g_fuel_rod0_LAMBDA_none_12.txt diff --git a/examples/MSRE_moltres/data/msre_gentry_4g_fuel_rod0_BETA_EFF.txt b/examples/MSRE_moltres/data/msre_gentry_4g_fuel_rod0_BETA_EFF.txt index f9de9e48..b0dce2bb 100644 --- a/examples/MSRE_moltres/data/msre_gentry_4g_fuel_rod0_BETA_EFF.txt +++ b/examples/MSRE_moltres/data/msre_gentry_4g_fuel_rod0_BETA_EFF.txt @@ -1,15 +1,15 @@ -633.0 0.0002248862803 0.001037860683 0.0005481117594 0.0001913575723 0.0008497808577 0.0008031321729 0.001583874968 0.0004194913551 0.0003321795958 0.0004200539002 0.0001425410387 2.16E-06 -700.0 0.0002248862803 0.001037860683 0.0005481117594 0.0001913575723 0.0008497808577 0.0008031321729 0.001583874968 0.0004194913551 0.0003321795958 0.0004200539002 0.0001425410387 2.16E-06 -800.0 0.0002248862803 0.001037860683 0.0005481117594 0.0001913575723 0.0008497808577 0.0008031321729 0.001583874968 0.0004194913551 0.0003321795958 0.0004200539002 0.0001425410387 2.16E-06 -900.0 0.0002248862803 0.001037860683 0.0005481117594 0.0001913575723 0.0008497808577 0.0008031321729 0.001583874968 0.0004194913551 0.0003321795958 0.0004200539002 0.0001425410387 2.16E-06 -1000.0 0.0002248862803 0.001037860683 0.0005481117594 0.0001913575723 0.0008497808577 0.0008031321729 0.001583874968 0.0004194913551 0.0003321795958 0.0004200539002 0.0001425410387 2.16E-06 -1100.0 0.0002248862803 0.001037860683 0.0005481117594 0.0001913575723 0.0008497808577 0.0008031321729 0.001583874968 0.0004194913551 0.0003321795958 0.0004200539002 0.0001425410387 2.16E-06 -1200.0 0.0002248862803 0.001037860683 0.0005481117594 0.0001913575723 0.0008497808577 0.0008031321729 0.001583874968 0.0004194913551 0.0003321795958 0.0004200539002 0.0001425410387 2.16E-06 -1300.0 0.0002248862803 0.001037860683 0.0005481117594 0.0001913575723 0.0008497808577 0.0008031321729 0.001583874968 0.0004194913551 0.0003321795958 0.0004200539002 0.0001425410387 2.16E-06 -1400.0 0.0002248862803 0.001037860683 0.0005481117594 0.0001913575723 0.0008497808577 0.0008031321729 0.001583874968 0.0004194913551 0.0003321795958 0.0004200539002 0.0001425410387 2.16E-06 -1500.0 0.0002248862803 0.001037860683 0.0005481117594 0.0001913575723 0.0008497808577 0.0008031321729 0.001583874968 0.0004194913551 0.0003321795958 0.0004200539002 0.0001425410387 2.16E-06 -1600.0 0.0002248862803 0.001037860683 0.0005481117594 0.0001913575723 0.0008497808577 0.0008031321729 0.001583874968 0.0004194913551 0.0003321795958 0.0004200539002 0.0001425410387 2.16E-06 -1700.0 0.0002248862803 0.001037860683 0.0005481117594 0.0001913575723 0.0008497808577 0.0008031321729 0.001583874968 0.0004194913551 0.0003321795958 0.0004200539002 0.0001425410387 2.16E-06 -1800.0 0.0002248862803 0.001037860683 0.0005481117594 0.0001913575723 0.0008497808577 0.0008031321729 0.001583874968 0.0004194913551 0.0003321795958 0.0004200539002 0.0001425410387 2.16E-06 -1900.0 0.0002248862803 0.001037860683 0.0005481117594 0.0001913575723 0.0008497808577 0.0008031321729 0.001583874968 0.0004194913551 0.0003321795958 0.0004200539002 0.0001425410387 2.16E-06 -2000.0 0.0002248862803 0.001037860683 0.0005481117594 0.0001913575723 0.0008497808577 0.0008031321729 0.001583874968 0.0004194913551 0.0003321795958 0.0004200539002 0.0001425410387 2.16E-06 +633.0 0.000226981203 0.001033387354 0.0005514546949 1.95E-05 0.0008142104972 0.000803262417 0.001660832526 0.0005306332599 0.0003369393833 0.0004372909997 0.000144882605 2.35E-06 +700.0 0.000226981203 0.001033387354 0.0005514546949 1.95E-05 0.0008142104972 0.000803262417 0.001660832526 0.0005306332599 0.0003369393833 0.0004372909997 0.000144882605 2.35E-06 +800.0 0.000226981203 0.001033387354 0.0005514546949 1.95E-05 0.0008142104972 0.000803262417 0.001660832526 0.0005306332599 0.0003369393833 0.0004372909997 0.000144882605 2.35E-06 +900.0 0.000226981203 0.001033387354 0.0005514546949 1.95E-05 0.0008142104972 0.000803262417 0.001660832526 0.0005306332599 0.0003369393833 0.0004372909997 0.000144882605 2.35E-06 +1000.0 0.000226981203 0.001033387354 0.0005514546949 1.95E-05 0.0008142104972 0.000803262417 0.001660832526 0.0005306332599 0.0003369393833 0.0004372909997 0.000144882605 2.35E-06 +1100.0 0.000226981203 0.001033387354 0.0005514546949 1.95E-05 0.0008142104972 0.000803262417 0.001660832526 0.0005306332599 0.0003369393833 0.0004372909997 0.000144882605 2.35E-06 +1200.0 0.000226981203 0.001033387354 0.0005514546949 1.95E-05 0.0008142104972 0.000803262417 0.001660832526 0.0005306332599 0.0003369393833 0.0004372909997 0.000144882605 2.35E-06 +1300.0 0.000226981203 0.001033387354 0.0005514546949 1.95E-05 0.0008142104972 0.000803262417 0.001660832526 0.0005306332599 0.0003369393833 0.0004372909997 0.000144882605 2.35E-06 +1400.0 0.000226981203 0.001033387354 0.0005514546949 1.95E-05 0.0008142104972 0.000803262417 0.001660832526 0.0005306332599 0.0003369393833 0.0004372909997 0.000144882605 2.35E-06 +1500.0 0.000226981203 0.001033387354 0.0005514546949 1.95E-05 0.0008142104972 0.000803262417 0.001660832526 0.0005306332599 0.0003369393833 0.0004372909997 0.000144882605 2.35E-06 +1600.0 0.000226981203 0.001033387354 0.0005514546949 1.95E-05 0.0008142104972 0.000803262417 0.001660832526 0.0005306332599 0.0003369393833 0.0004372909997 0.000144882605 2.35E-06 +1700.0 0.000226981203 0.001033387354 0.0005514546949 1.95E-05 0.0008142104972 0.000803262417 0.001660832526 0.0005306332599 0.0003369393833 0.0004372909997 0.000144882605 2.35E-06 +1800.0 0.000226981203 0.001033387354 0.0005514546949 1.95E-05 0.0008142104972 0.000803262417 0.001660832526 0.0005306332599 0.0003369393833 0.0004372909997 0.000144882605 2.35E-06 +1900.0 0.000226981203 0.001033387354 0.0005514546949 1.95E-05 0.0008142104972 0.000803262417 0.001660832526 0.0005306332599 0.0003369393833 0.0004372909997 0.000144882605 2.35E-06 +2000.0 0.000226981203 0.001033387354 0.0005514546949 1.95E-05 0.0008142104972 0.000803262417 0.001660832526 0.0005306332599 0.0003369393833 0.0004372909997 0.000144882605 2.35E-06 diff --git a/examples/MSRE_moltres/data/msre_gentry_4g_fuel_rod0_BETA_EFF_none_12.txt b/examples/MSRE_moltres/data/msre_gentry_4g_fuel_rod0_BETA_EFF_none_12.txt new file mode 100644 index 00000000..b0dce2bb --- /dev/null +++ b/examples/MSRE_moltres/data/msre_gentry_4g_fuel_rod0_BETA_EFF_none_12.txt @@ -0,0 +1,15 @@ +633.0 0.000226981203 0.001033387354 0.0005514546949 1.95E-05 0.0008142104972 0.000803262417 0.001660832526 0.0005306332599 0.0003369393833 0.0004372909997 0.000144882605 2.35E-06 +700.0 0.000226981203 0.001033387354 0.0005514546949 1.95E-05 0.0008142104972 0.000803262417 0.001660832526 0.0005306332599 0.0003369393833 0.0004372909997 0.000144882605 2.35E-06 +800.0 0.000226981203 0.001033387354 0.0005514546949 1.95E-05 0.0008142104972 0.000803262417 0.001660832526 0.0005306332599 0.0003369393833 0.0004372909997 0.000144882605 2.35E-06 +900.0 0.000226981203 0.001033387354 0.0005514546949 1.95E-05 0.0008142104972 0.000803262417 0.001660832526 0.0005306332599 0.0003369393833 0.0004372909997 0.000144882605 2.35E-06 +1000.0 0.000226981203 0.001033387354 0.0005514546949 1.95E-05 0.0008142104972 0.000803262417 0.001660832526 0.0005306332599 0.0003369393833 0.0004372909997 0.000144882605 2.35E-06 +1100.0 0.000226981203 0.001033387354 0.0005514546949 1.95E-05 0.0008142104972 0.000803262417 0.001660832526 0.0005306332599 0.0003369393833 0.0004372909997 0.000144882605 2.35E-06 +1200.0 0.000226981203 0.001033387354 0.0005514546949 1.95E-05 0.0008142104972 0.000803262417 0.001660832526 0.0005306332599 0.0003369393833 0.0004372909997 0.000144882605 2.35E-06 +1300.0 0.000226981203 0.001033387354 0.0005514546949 1.95E-05 0.0008142104972 0.000803262417 0.001660832526 0.0005306332599 0.0003369393833 0.0004372909997 0.000144882605 2.35E-06 +1400.0 0.000226981203 0.001033387354 0.0005514546949 1.95E-05 0.0008142104972 0.000803262417 0.001660832526 0.0005306332599 0.0003369393833 0.0004372909997 0.000144882605 2.35E-06 +1500.0 0.000226981203 0.001033387354 0.0005514546949 1.95E-05 0.0008142104972 0.000803262417 0.001660832526 0.0005306332599 0.0003369393833 0.0004372909997 0.000144882605 2.35E-06 +1600.0 0.000226981203 0.001033387354 0.0005514546949 1.95E-05 0.0008142104972 0.000803262417 0.001660832526 0.0005306332599 0.0003369393833 0.0004372909997 0.000144882605 2.35E-06 +1700.0 0.000226981203 0.001033387354 0.0005514546949 1.95E-05 0.0008142104972 0.000803262417 0.001660832526 0.0005306332599 0.0003369393833 0.0004372909997 0.000144882605 2.35E-06 +1800.0 0.000226981203 0.001033387354 0.0005514546949 1.95E-05 0.0008142104972 0.000803262417 0.001660832526 0.0005306332599 0.0003369393833 0.0004372909997 0.000144882605 2.35E-06 +1900.0 0.000226981203 0.001033387354 0.0005514546949 1.95E-05 0.0008142104972 0.000803262417 0.001660832526 0.0005306332599 0.0003369393833 0.0004372909997 0.000144882605 2.35E-06 +2000.0 0.000226981203 0.001033387354 0.0005514546949 1.95E-05 0.0008142104972 0.000803262417 0.001660832526 0.0005306332599 0.0003369393833 0.0004372909997 0.000144882605 2.35E-06 diff --git a/examples/MSRE_moltres/data/msre_gentry_4g_fuel_rod0_LAMBDA.txt b/examples/MSRE_moltres/data/msre_gentry_4g_fuel_rod0_LAMBDA.txt index 96961e08..9239c93a 100644 --- a/examples/MSRE_moltres/data/msre_gentry_4g_fuel_rod0_LAMBDA.txt +++ b/examples/MSRE_moltres/data/msre_gentry_4g_fuel_rod0_LAMBDA.txt @@ -1,15 +1,15 @@ -633.0 0.01245773099 0.0281906731 0.04214968382 0.1001481469 0.1299596849 0.2068787552 0.3235277585 0.5360679504 1.068601583 1.816408483 3.725978029 8.350099997 -700.0 0.01245773099 0.0281906731 0.04214968382 0.1001481469 0.1299596849 0.2068787552 0.3235277585 0.5360679504 1.068601583 1.816408483 3.725978029 8.350099997 -800.0 0.01245773099 0.0281906731 0.04214968382 0.1001481469 0.1299596849 0.2068787552 0.3235277585 0.5360679504 1.068601583 1.816408483 3.725978029 8.350099997 -900.0 0.01245773099 0.0281906731 0.04214968382 0.1001481469 0.1299596849 0.2068787552 0.3235277585 0.5360679504 1.068601583 1.816408483 3.725978029 8.350099997 -1000.0 0.01245773099 0.0281906731 0.04214968382 0.1001481469 0.1299596849 0.2068787552 0.3235277585 0.5360679504 1.068601583 1.816408483 3.725978029 8.350099997 -1100.0 0.01245773099 0.0281906731 0.04214968382 0.1001481469 0.1299596849 0.2068787552 0.3235277585 0.5360679504 1.068601583 1.816408483 3.725978029 8.350099997 -1200.0 0.01245773099 0.0281906731 0.04214968382 0.1001481469 0.1299596849 0.2068787552 0.3235277585 0.5360679504 1.068601583 1.816408483 3.725978029 8.350099997 -1300.0 0.01245773099 0.0281906731 0.04214968382 0.1001481469 0.1299596849 0.2068787552 0.3235277585 0.5360679504 1.068601583 1.816408483 3.725978029 8.350099997 -1400.0 0.01245773099 0.0281906731 0.04214968382 0.1001481469 0.1299596849 0.2068787552 0.3235277585 0.5360679504 1.068601583 1.816408483 3.725978029 8.350099997 -1500.0 0.01245773099 0.0281906731 0.04214968382 0.1001481469 0.1299596849 0.2068787552 0.3235277585 0.5360679504 1.068601583 1.816408483 3.725978029 8.350099997 -1600.0 0.01245773099 0.0281906731 0.04214968382 0.1001481469 0.1299596849 0.2068787552 0.3235277585 0.5360679504 1.068601583 1.816408483 3.725978029 8.350099997 -1700.0 0.01245773099 0.0281906731 0.04214968382 0.1001481469 0.1299596849 0.2068787552 0.3235277585 0.5360679504 1.068601583 1.816408483 3.725978029 8.350099997 -1800.0 0.01245773099 0.0281906731 0.04214968382 0.1001481469 0.1299596849 0.2068787552 0.3235277585 0.5360679504 1.068601583 1.816408483 3.725978029 8.350099997 -1900.0 0.01245773099 0.0281906731 0.04214968382 0.1001481469 0.1299596849 0.2068787552 0.3235277585 0.5360679504 1.068601583 1.816408483 3.725978029 8.350099997 -2000.0 0.01245773099 0.0281906731 0.04214968382 0.1001481469 0.1299596849 0.2068787552 0.3235277585 0.5360679504 1.068601583 1.816408483 3.725978029 8.350099997 +633.0 0.01245772347 0.02818683461 0.04192430857 0.06997948818 0.1184116656 0.1816813845 0.3065624922 0.4935764648 1.024757927 1.792271239 3.706666007 8.19937607 +700.0 0.01245772347 0.02818683461 0.04192430857 0.06997948818 0.1184116656 0.1816813845 0.3065624922 0.4935764648 1.024757927 1.792271239 3.706666007 8.19937607 +800.0 0.01245772347 0.02818683461 0.04192430857 0.06997948818 0.1184116656 0.1816813845 0.3065624922 0.4935764648 1.024757927 1.792271239 3.706666007 8.19937607 +900.0 0.01245772347 0.02818683461 0.04192430857 0.06997948818 0.1184116656 0.1816813845 0.3065624922 0.4935764648 1.024757927 1.792271239 3.706666007 8.19937607 +1000.0 0.01245772347 0.02818683461 0.04192430857 0.06997948818 0.1184116656 0.1816813845 0.3065624922 0.4935764648 1.024757927 1.792271239 3.706666007 8.19937607 +1100.0 0.01245772347 0.02818683461 0.04192430857 0.06997948818 0.1184116656 0.1816813845 0.3065624922 0.4935764648 1.024757927 1.792271239 3.706666007 8.19937607 +1200.0 0.01245772347 0.02818683461 0.04192430857 0.06997948818 0.1184116656 0.1816813845 0.3065624922 0.4935764648 1.024757927 1.792271239 3.706666007 8.19937607 +1300.0 0.01245772347 0.02818683461 0.04192430857 0.06997948818 0.1184116656 0.1816813845 0.3065624922 0.4935764648 1.024757927 1.792271239 3.706666007 8.19937607 +1400.0 0.01245772347 0.02818683461 0.04192430857 0.06997948818 0.1184116656 0.1816813845 0.3065624922 0.4935764648 1.024757927 1.792271239 3.706666007 8.19937607 +1500.0 0.01245772347 0.02818683461 0.04192430857 0.06997948818 0.1184116656 0.1816813845 0.3065624922 0.4935764648 1.024757927 1.792271239 3.706666007 8.19937607 +1600.0 0.01245772347 0.02818683461 0.04192430857 0.06997948818 0.1184116656 0.1816813845 0.3065624922 0.4935764648 1.024757927 1.792271239 3.706666007 8.19937607 +1700.0 0.01245772347 0.02818683461 0.04192430857 0.06997948818 0.1184116656 0.1816813845 0.3065624922 0.4935764648 1.024757927 1.792271239 3.706666007 8.19937607 +1800.0 0.01245772347 0.02818683461 0.04192430857 0.06997948818 0.1184116656 0.1816813845 0.3065624922 0.4935764648 1.024757927 1.792271239 3.706666007 8.19937607 +1900.0 0.01245772347 0.02818683461 0.04192430857 0.06997948818 0.1184116656 0.1816813845 0.3065624922 0.4935764648 1.024757927 1.792271239 3.706666007 8.19937607 +2000.0 0.01245772347 0.02818683461 0.04192430857 0.06997948818 0.1184116656 0.1816813845 0.3065624922 0.4935764648 1.024757927 1.792271239 3.706666007 8.19937607 diff --git a/examples/MSRE_moltres/data/msre_gentry_4g_fuel_rod0_LAMBDA_none_12.txt b/examples/MSRE_moltres/data/msre_gentry_4g_fuel_rod0_LAMBDA_none_12.txt new file mode 100644 index 00000000..9239c93a --- /dev/null +++ b/examples/MSRE_moltres/data/msre_gentry_4g_fuel_rod0_LAMBDA_none_12.txt @@ -0,0 +1,15 @@ +633.0 0.01245772347 0.02818683461 0.04192430857 0.06997948818 0.1184116656 0.1816813845 0.3065624922 0.4935764648 1.024757927 1.792271239 3.706666007 8.19937607 +700.0 0.01245772347 0.02818683461 0.04192430857 0.06997948818 0.1184116656 0.1816813845 0.3065624922 0.4935764648 1.024757927 1.792271239 3.706666007 8.19937607 +800.0 0.01245772347 0.02818683461 0.04192430857 0.06997948818 0.1184116656 0.1816813845 0.3065624922 0.4935764648 1.024757927 1.792271239 3.706666007 8.19937607 +900.0 0.01245772347 0.02818683461 0.04192430857 0.06997948818 0.1184116656 0.1816813845 0.3065624922 0.4935764648 1.024757927 1.792271239 3.706666007 8.19937607 +1000.0 0.01245772347 0.02818683461 0.04192430857 0.06997948818 0.1184116656 0.1816813845 0.3065624922 0.4935764648 1.024757927 1.792271239 3.706666007 8.19937607 +1100.0 0.01245772347 0.02818683461 0.04192430857 0.06997948818 0.1184116656 0.1816813845 0.3065624922 0.4935764648 1.024757927 1.792271239 3.706666007 8.19937607 +1200.0 0.01245772347 0.02818683461 0.04192430857 0.06997948818 0.1184116656 0.1816813845 0.3065624922 0.4935764648 1.024757927 1.792271239 3.706666007 8.19937607 +1300.0 0.01245772347 0.02818683461 0.04192430857 0.06997948818 0.1184116656 0.1816813845 0.3065624922 0.4935764648 1.024757927 1.792271239 3.706666007 8.19937607 +1400.0 0.01245772347 0.02818683461 0.04192430857 0.06997948818 0.1184116656 0.1816813845 0.3065624922 0.4935764648 1.024757927 1.792271239 3.706666007 8.19937607 +1500.0 0.01245772347 0.02818683461 0.04192430857 0.06997948818 0.1184116656 0.1816813845 0.3065624922 0.4935764648 1.024757927 1.792271239 3.706666007 8.19937607 +1600.0 0.01245772347 0.02818683461 0.04192430857 0.06997948818 0.1184116656 0.1816813845 0.3065624922 0.4935764648 1.024757927 1.792271239 3.706666007 8.19937607 +1700.0 0.01245772347 0.02818683461 0.04192430857 0.06997948818 0.1184116656 0.1816813845 0.3065624922 0.4935764648 1.024757927 1.792271239 3.706666007 8.19937607 +1800.0 0.01245772347 0.02818683461 0.04192430857 0.06997948818 0.1184116656 0.1816813845 0.3065624922 0.4935764648 1.024757927 1.792271239 3.706666007 8.19937607 +1900.0 0.01245772347 0.02818683461 0.04192430857 0.06997948818 0.1184116656 0.1816813845 0.3065624922 0.4935764648 1.024757927 1.792271239 3.706666007 8.19937607 +2000.0 0.01245772347 0.02818683461 0.04192430857 0.06997948818 0.1184116656 0.1816813845 0.3065624922 0.4935764648 1.024757927 1.792271239 3.706666007 8.19937607 From d9fc099a9bedcb0e8ad2cb2ad2c686493641ef27 Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Mon, 18 May 2026 14:25:16 -0500 Subject: [PATCH 254/259] Clean up chart gen --- mosden/postprocessing.py | 6 ++++-- 1 file changed, 4 insertions(+), 2 deletions(-) diff --git a/mosden/postprocessing.py b/mosden/postprocessing.py index f58fcaa8..6a029550 100644 --- a/mosden/postprocessing.py +++ b/mosden/postprocessing.py @@ -256,13 +256,15 @@ def _chart_form(self, name: str, data: dict, cbar_label: str, vmin: float=1e-1, The maximum value of the colorbar """ configure(permissive=True) - plt.figure(figsize=(12, 8)) + plt.figure(figsize=(6.4*1.10, 4.8)) N = list() Z = list() C = list() for nuc, base in nuclideBases.byName.items(): try: value = data[nuc.capitalize()] + if (base.a - base.z) < 30: + continue N.append(base.a - base.z) Z.append(base.z) C.append(value) @@ -277,7 +279,7 @@ def _chart_form(self, name: str, data: dict, cbar_label: str, vmin: float=1e-1, vmin_use = 0.1 * vmin_use vmax_use = 10 * vmax_use norm = LogNorm(vmin=vmin_use, vmax=vmax_use) - plt.scatter(N, Z, c=C, norm=norm, marker="s", s=60) + plt.scatter(N, Z, c=C, norm=norm, marker="s", s=10) plt.set_cmap('viridis') cbar = plt.colorbar() cbar.set_label(cbar_label) From 244718e8e9ac04aae6d9d23a70aa79cc4da6026a Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Wed, 20 May 2026 15:11:03 -0500 Subject: [PATCH 255/259] Add 12g data --- ...d0_BETA_EFF.txt => msre_gentry_4g_moder_rod0_BETA_EFF_12g.txt} | 0 ...r_rod0_LAMBDA.txt => msre_gentry_4g_moder_rod0_LAMBDA_12g.txt} | 0 2 files changed, 0 insertions(+), 0 deletions(-) rename examples/MSRE_moltres/data/{msre_gentry_4g_moder_rod0_BETA_EFF.txt => msre_gentry_4g_moder_rod0_BETA_EFF_12g.txt} (100%) rename examples/MSRE_moltres/data/{msre_gentry_4g_moder_rod0_LAMBDA.txt => msre_gentry_4g_moder_rod0_LAMBDA_12g.txt} (100%) diff --git a/examples/MSRE_moltres/data/msre_gentry_4g_moder_rod0_BETA_EFF.txt b/examples/MSRE_moltres/data/msre_gentry_4g_moder_rod0_BETA_EFF_12g.txt similarity index 100% rename from examples/MSRE_moltres/data/msre_gentry_4g_moder_rod0_BETA_EFF.txt rename to examples/MSRE_moltres/data/msre_gentry_4g_moder_rod0_BETA_EFF_12g.txt diff --git a/examples/MSRE_moltres/data/msre_gentry_4g_moder_rod0_LAMBDA.txt b/examples/MSRE_moltres/data/msre_gentry_4g_moder_rod0_LAMBDA_12g.txt similarity index 100% rename from examples/MSRE_moltres/data/msre_gentry_4g_moder_rod0_LAMBDA.txt rename to examples/MSRE_moltres/data/msre_gentry_4g_moder_rod0_LAMBDA_12g.txt From bbd492a189b298620095c30165903bea6221c2a4 Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Wed, 27 May 2026 12:40:26 -0500 Subject: [PATCH 256/259] Add average energy uncertainty and clean up chart nuclides --- mosden/multipostprocessing.py | 29 +++++++++++++++++++++++------ mosden/postprocessing.py | 19 +++++++++++++++---- 2 files changed, 38 insertions(+), 10 deletions(-) diff --git a/mosden/multipostprocessing.py b/mosden/multipostprocessing.py index b8ab3450..060f67ad 100644 --- a/mosden/multipostprocessing.py +++ b/mosden/multipostprocessing.py @@ -6,7 +6,7 @@ from mosden.countrate import CountRate from mosden.utils.csv_handler import CSVHandler import os - +from uncertainties import ufloat class MultiPostProcess(): def __init__(self, input_paths: list[str]) -> None: @@ -371,18 +371,29 @@ def avg_energy_spectra(self) -> None: for pi, post in enumerate(self.posts): times = post.decay_times spectra_data = CSVHandler(post.spectra_count_path, create=False).read_vector_csv() + count_data = CSVHandler(post.countrate_path, create=False).read_vector_csv() average_energies = list() + sigma_average_energies = list() for ti, t in enumerate(times): use_actual_spectra = np.asarray([spectra_data[str(e)][ti] for e in post.eV_midpoints]) avg_MeV = post.calculate_avg_MeV(post.energy_groups_MeV, use_actual_spectra) - average_energies.append(avg_MeV) + midpoints_MeV = np.asarray(post.eV_midpoints) / 1e6 + sigma_average_energies = np.sum(midpoints_MeV * use_actual_spectra * count_data['sigma counts'][ti] / count_data['counts'][ti]**2) + average_energies.append(ufloat(avg_MeV, sigma_average_energies)) + if pi == 0: base_avg = average_energies - plt.plot(times, average_energies, label=post.name, + nom_energies = np.asarray([e.n for e in average_energies]) + std_energies = np.asarray([e.s for e in average_energies]) + plt.plot(times, nom_energies, label=post.name, color=colors[pi], - linestyle=post.linestyles[pi%len(post.linestyles)]) + linestyle=post.linestyles[pi+1%len(post.linestyles)]) + plt.fill_between(times, nom_energies-std_energies, + nom_energies+std_energies, + color=colors[pi], + alpha=0.25) plt.legend() plt.xlabel(r'Time $[s]$') plt.ylabel(r'$\bar{E}$ $[MeV]$') @@ -396,15 +407,21 @@ def avg_energy_spectra(self) -> None: continue times = post.decay_times spectra_data = CSVHandler(post.spectra_count_path, create=False).read_vector_csv() + count_data = CSVHandler(post.countrate_path, create=False).read_vector_csv() average_energies = list() for ti, t in enumerate(times): use_actual_spectra = np.asarray([spectra_data[str(e)][ti] for e in post.eV_midpoints]) avg_MeV = post.calculate_avg_MeV(post.energy_groups_MeV, use_actual_spectra) - average_energies.append(avg_MeV) + sigma_average_energies = count_data['sigma counts'][ti]/sum(use_actual_spectra) + average_energies.append(ufloat(avg_MeV, sigma_average_energies)) diff = (np.asarray(base_avg) - np.asarray(average_energies)) * 1000 - plt.plot(times, diff, color='black') + nom_diff = np.asarray([d.n for d in diff]) + std_diff = np.asarray([d.s for d in diff]) + plt.plot(times, nom_diff, color='black') + plt.fill_between(times, nom_diff-std_diff, nom_diff+std_diff, + color='black', alpha=0.5) plt.xlabel(r'Time $[s]$') plt.ylabel(r'$\Delta \bar{E}$ $[keV]$') plt.tight_layout() diff --git a/mosden/postprocessing.py b/mosden/postprocessing.py index 6a029550..62d71c2f 100644 --- a/mosden/postprocessing.py +++ b/mosden/postprocessing.py @@ -256,7 +256,7 @@ def _chart_form(self, name: str, data: dict, cbar_label: str, vmin: float=1e-1, The maximum value of the colorbar """ configure(permissive=True) - plt.figure(figsize=(6.4*1.10, 4.8)) + plt.figure(figsize=(6.4*1.25, 4.8)) N = list() Z = list() C = list() @@ -279,7 +279,7 @@ def _chart_form(self, name: str, data: dict, cbar_label: str, vmin: float=1e-1, vmin_use = 0.1 * vmin_use vmax_use = 10 * vmax_use norm = LogNorm(vmin=vmin_use, vmax=vmax_use) - plt.scatter(N, Z, c=C, norm=norm, marker="s", s=10) + plt.scatter(N, Z, c=C, norm=norm, marker="s", s=20) plt.set_cmap('viridis') cbar = plt.colorbar() cbar.set_label(cbar_label) @@ -998,6 +998,9 @@ def _load_group_spectral_counts(self): def _compare_spectral_counts(self) -> None: spectra_data = CSVHandler(self.spectra_count_path, create=False).read_vector_csv() + count_data = CSVHandler(self.countrate_path, create=False).read_vector_csv() + count_errs = count_data['sigma counts'] + counts = count_data['counts'] times, group_counts = self._load_group_spectral_counts() @@ -1010,7 +1013,9 @@ def _compare_spectral_counts(self) -> None: use_actual_spectra = np.asarray([spectra_data[str(e)][ti] for e in self.eV_midpoints]) avg_MeV = self.calculate_avg_MeV(self.energy_groups_MeV, use_actual_spectra/sum(use_actual_spectra)) - average_energies.append(avg_MeV) + midpoints_MeV = np.asarray(self.eV_midpoints) / 1e6 + sigma_average_energies = np.sum(midpoints_MeV * use_actual_spectra * count_errs[ti] / counts[ti]**2) + average_energies.append(ufloat(avg_MeV, sigma_average_energies)) use_actual_spectra = use_actual_spectra / bin_widths use_actual_spectra = np.concatenate((use_actual_spectra, [use_actual_spectra[-1]])) use_group_spectra = np.asarray([group_counts[str(e)][ti] for e in self.eV_midpoints]) @@ -1038,7 +1043,13 @@ def _compare_spectral_counts(self) -> None: plt.savefig(f'{self.spectra_img_dir}/diff_spectra_counts_{t:.5f}.png') plt.close() - plt.plot(times, average_energies, color='black') + nom_energies = np.asarray([e.n for e in average_energies]) + std_energies = np.asarray([e.s for e in average_energies]) + plt.plot(times, nom_energies, color='black') + plt.fill_between(times, nom_energies-std_energies, + nom_energies+std_energies, + color='black', + alpha=0.5) plt.xlabel(r'Time $[s]$') plt.ylabel(r'$\bar{E}$ $[MeV]$') plt.tight_layout() From 209fcae80ae32b2f7dec9b3029a6246e835f85fc Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Wed, 10 Jun 2026 13:04:59 -0500 Subject: [PATCH 257/259] Cleanup moltres sim --- examples/MSRE_moltres/README.md | 3 +- .../msre_gentry_4g_fuel_rod0_BETA_EFF.txt | 30 ++++++------- .../data/msre_gentry_4g_fuel_rod0_LAMBDA.txt | 30 ++++++------- ...msre_gentry_4g_moder_rod0_BETA_EFF_12g.txt | 14 ------ .../msre_gentry_4g_moder_rod0_BETA_EFF_6g.txt | 14 ------ .../msre_gentry_4g_moder_rod0_LAMBDA_12g.txt | 14 ------ .../msre_gentry_4g_moder_rod0_LAMBDA_6g.txt | 14 ------ mosden/data/chemical_rates/ALL.csv | 43 +++++++++++++++++++ 8 files changed, 75 insertions(+), 87 deletions(-) delete mode 100644 examples/MSRE_moltres/data/msre_gentry_4g_moder_rod0_BETA_EFF_12g.txt delete mode 100644 examples/MSRE_moltres/data/msre_gentry_4g_moder_rod0_BETA_EFF_6g.txt delete mode 100644 examples/MSRE_moltres/data/msre_gentry_4g_moder_rod0_LAMBDA_12g.txt delete mode 100644 examples/MSRE_moltres/data/msre_gentry_4g_moder_rod0_LAMBDA_6g.txt create mode 100644 mosden/data/chemical_rates/ALL.csv diff --git a/examples/MSRE_moltres/README.md b/examples/MSRE_moltres/README.md index 46cc3531..7d69ebce 100644 --- a/examples/MSRE_moltres/README.md +++ b/examples/MSRE_moltres/README.md @@ -1,6 +1,7 @@ # Moltres MSRE-like example -To run with Moltres, first edit the necessary data. +To run with Moltres, first `conda activate moose` and then + edit the necessary data for the simulation. The data that will need to be changed is `msre_gentry_4g_fuel_rod0_BETA_EFF` and `msre_gentry_4g_fuel_rod0_LAMBDA`. diff --git a/examples/MSRE_moltres/data/msre_gentry_4g_fuel_rod0_BETA_EFF.txt b/examples/MSRE_moltres/data/msre_gentry_4g_fuel_rod0_BETA_EFF.txt index b0dce2bb..40d71802 100644 --- a/examples/MSRE_moltres/data/msre_gentry_4g_fuel_rod0_BETA_EFF.txt +++ b/examples/MSRE_moltres/data/msre_gentry_4g_fuel_rod0_BETA_EFF.txt @@ -1,15 +1,15 @@ -633.0 0.000226981203 0.001033387354 0.0005514546949 1.95E-05 0.0008142104972 0.000803262417 0.001660832526 0.0005306332599 0.0003369393833 0.0004372909997 0.000144882605 2.35E-06 -700.0 0.000226981203 0.001033387354 0.0005514546949 1.95E-05 0.0008142104972 0.000803262417 0.001660832526 0.0005306332599 0.0003369393833 0.0004372909997 0.000144882605 2.35E-06 -800.0 0.000226981203 0.001033387354 0.0005514546949 1.95E-05 0.0008142104972 0.000803262417 0.001660832526 0.0005306332599 0.0003369393833 0.0004372909997 0.000144882605 2.35E-06 -900.0 0.000226981203 0.001033387354 0.0005514546949 1.95E-05 0.0008142104972 0.000803262417 0.001660832526 0.0005306332599 0.0003369393833 0.0004372909997 0.000144882605 2.35E-06 -1000.0 0.000226981203 0.001033387354 0.0005514546949 1.95E-05 0.0008142104972 0.000803262417 0.001660832526 0.0005306332599 0.0003369393833 0.0004372909997 0.000144882605 2.35E-06 -1100.0 0.000226981203 0.001033387354 0.0005514546949 1.95E-05 0.0008142104972 0.000803262417 0.001660832526 0.0005306332599 0.0003369393833 0.0004372909997 0.000144882605 2.35E-06 -1200.0 0.000226981203 0.001033387354 0.0005514546949 1.95E-05 0.0008142104972 0.000803262417 0.001660832526 0.0005306332599 0.0003369393833 0.0004372909997 0.000144882605 2.35E-06 -1300.0 0.000226981203 0.001033387354 0.0005514546949 1.95E-05 0.0008142104972 0.000803262417 0.001660832526 0.0005306332599 0.0003369393833 0.0004372909997 0.000144882605 2.35E-06 -1400.0 0.000226981203 0.001033387354 0.0005514546949 1.95E-05 0.0008142104972 0.000803262417 0.001660832526 0.0005306332599 0.0003369393833 0.0004372909997 0.000144882605 2.35E-06 -1500.0 0.000226981203 0.001033387354 0.0005514546949 1.95E-05 0.0008142104972 0.000803262417 0.001660832526 0.0005306332599 0.0003369393833 0.0004372909997 0.000144882605 2.35E-06 -1600.0 0.000226981203 0.001033387354 0.0005514546949 1.95E-05 0.0008142104972 0.000803262417 0.001660832526 0.0005306332599 0.0003369393833 0.0004372909997 0.000144882605 2.35E-06 -1700.0 0.000226981203 0.001033387354 0.0005514546949 1.95E-05 0.0008142104972 0.000803262417 0.001660832526 0.0005306332599 0.0003369393833 0.0004372909997 0.000144882605 2.35E-06 -1800.0 0.000226981203 0.001033387354 0.0005514546949 1.95E-05 0.0008142104972 0.000803262417 0.001660832526 0.0005306332599 0.0003369393833 0.0004372909997 0.000144882605 2.35E-06 -1900.0 0.000226981203 0.001033387354 0.0005514546949 1.95E-05 0.0008142104972 0.000803262417 0.001660832526 0.0005306332599 0.0003369393833 0.0004372909997 0.000144882605 2.35E-06 -2000.0 0.000226981203 0.001033387354 0.0005514546949 1.95E-05 0.0008142104972 0.000803262417 0.001660832526 0.0005306332599 0.0003369393833 0.0004372909997 0.000144882605 2.35E-06 +633.0 0.00007666213729 0.000539376165 0.0003608872497 0.00008615116943 0.0007984133673 0.0007504865608 0.001612924571 0.0005137626329 0.0003300397025 0.0004480454296 0.000148137473 2.92E-06 +700.0 0.00007666213729 0.000539376165 0.0003608872497 0.00008615116943 0.0007984133673 0.0007504865608 0.001612924571 0.0005137626329 0.0003300397025 0.0004480454296 0.000148137473 2.92E-06 +800.0 0.00007666213729 0.000539376165 0.0003608872497 0.00008615116943 0.0007984133673 0.0007504865608 0.001612924571 0.0005137626329 0.0003300397025 0.0004480454296 0.000148137473 2.92E-06 +900.0 0.00007666213729 0.000539376165 0.0003608872497 0.00008615116943 0.0007984133673 0.0007504865608 0.001612924571 0.0005137626329 0.0003300397025 0.0004480454296 0.000148137473 2.92E-06 +1000.0 0.00007666213729 0.000539376165 0.0003608872497 0.00008615116943 0.0007984133673 0.0007504865608 0.001612924571 0.0005137626329 0.0003300397025 0.0004480454296 0.000148137473 2.92E-06 +1100.0 0.00007666213729 0.000539376165 0.0003608872497 0.00008615116943 0.0007984133673 0.0007504865608 0.001612924571 0.0005137626329 0.0003300397025 0.0004480454296 0.000148137473 2.92E-06 +1200.0 0.00007666213729 0.000539376165 0.0003608872497 0.00008615116943 0.0007984133673 0.0007504865608 0.001612924571 0.0005137626329 0.0003300397025 0.0004480454296 0.000148137473 2.92E-06 +1300.0 0.00007666213729 0.000539376165 0.0003608872497 0.00008615116943 0.0007984133673 0.0007504865608 0.001612924571 0.0005137626329 0.0003300397025 0.0004480454296 0.000148137473 2.92E-06 +1400.0 0.00007666213729 0.000539376165 0.0003608872497 0.00008615116943 0.0007984133673 0.0007504865608 0.001612924571 0.0005137626329 0.0003300397025 0.0004480454296 0.000148137473 2.92E-06 +1500.0 0.00007666213729 0.000539376165 0.0003608872497 0.00008615116943 0.0007984133673 0.0007504865608 0.001612924571 0.0005137626329 0.0003300397025 0.0004480454296 0.000148137473 2.92E-06 +1600.0 0.00007666213729 0.000539376165 0.0003608872497 0.00008615116943 0.0007984133673 0.0007504865608 0.001612924571 0.0005137626329 0.0003300397025 0.0004480454296 0.000148137473 2.92E-06 +1700.0 0.00007666213729 0.000539376165 0.0003608872497 0.00008615116943 0.0007984133673 0.0007504865608 0.001612924571 0.0005137626329 0.0003300397025 0.0004480454296 0.000148137473 2.92E-06 +1800.0 0.00007666213729 0.000539376165 0.0003608872497 0.00008615116943 0.0007984133673 0.0007504865608 0.001612924571 0.0005137626329 0.0003300397025 0.0004480454296 0.000148137473 2.92E-06 +1900.0 0.00007666213729 0.000539376165 0.0003608872497 0.00008615116943 0.0007984133673 0.0007504865608 0.001612924571 0.0005137626329 0.0003300397025 0.0004480454296 0.000148137473 2.92E-06 +2000.0 0.00007666213729 0.000539376165 0.0003608872497 0.00008615116943 0.0007984133673 0.0007504865608 0.001612924571 0.0005137626329 0.0003300397025 0.0004480454296 0.000148137473 2.92E-06 diff --git a/examples/MSRE_moltres/data/msre_gentry_4g_fuel_rod0_LAMBDA.txt b/examples/MSRE_moltres/data/msre_gentry_4g_fuel_rod0_LAMBDA.txt index 9239c93a..9ed0b745 100644 --- a/examples/MSRE_moltres/data/msre_gentry_4g_fuel_rod0_LAMBDA.txt +++ b/examples/MSRE_moltres/data/msre_gentry_4g_fuel_rod0_LAMBDA.txt @@ -1,15 +1,15 @@ -633.0 0.01245772347 0.02818683461 0.04192430857 0.06997948818 0.1184116656 0.1816813845 0.3065624922 0.4935764648 1.024757927 1.792271239 3.706666007 8.19937607 -700.0 0.01245772347 0.02818683461 0.04192430857 0.06997948818 0.1184116656 0.1816813845 0.3065624922 0.4935764648 1.024757927 1.792271239 3.706666007 8.19937607 -800.0 0.01245772347 0.02818683461 0.04192430857 0.06997948818 0.1184116656 0.1816813845 0.3065624922 0.4935764648 1.024757927 1.792271239 3.706666007 8.19937607 -900.0 0.01245772347 0.02818683461 0.04192430857 0.06997948818 0.1184116656 0.1816813845 0.3065624922 0.4935764648 1.024757927 1.792271239 3.706666007 8.19937607 -1000.0 0.01245772347 0.02818683461 0.04192430857 0.06997948818 0.1184116656 0.1816813845 0.3065624922 0.4935764648 1.024757927 1.792271239 3.706666007 8.19937607 -1100.0 0.01245772347 0.02818683461 0.04192430857 0.06997948818 0.1184116656 0.1816813845 0.3065624922 0.4935764648 1.024757927 1.792271239 3.706666007 8.19937607 -1200.0 0.01245772347 0.02818683461 0.04192430857 0.06997948818 0.1184116656 0.1816813845 0.3065624922 0.4935764648 1.024757927 1.792271239 3.706666007 8.19937607 -1300.0 0.01245772347 0.02818683461 0.04192430857 0.06997948818 0.1184116656 0.1816813845 0.3065624922 0.4935764648 1.024757927 1.792271239 3.706666007 8.19937607 -1400.0 0.01245772347 0.02818683461 0.04192430857 0.06997948818 0.1184116656 0.1816813845 0.3065624922 0.4935764648 1.024757927 1.792271239 3.706666007 8.19937607 -1500.0 0.01245772347 0.02818683461 0.04192430857 0.06997948818 0.1184116656 0.1816813845 0.3065624922 0.4935764648 1.024757927 1.792271239 3.706666007 8.19937607 -1600.0 0.01245772347 0.02818683461 0.04192430857 0.06997948818 0.1184116656 0.1816813845 0.3065624922 0.4935764648 1.024757927 1.792271239 3.706666007 8.19937607 -1700.0 0.01245772347 0.02818683461 0.04192430857 0.06997948818 0.1184116656 0.1816813845 0.3065624922 0.4935764648 1.024757927 1.792271239 3.706666007 8.19937607 -1800.0 0.01245772347 0.02818683461 0.04192430857 0.06997948818 0.1184116656 0.1816813845 0.3065624922 0.4935764648 1.024757927 1.792271239 3.706666007 8.19937607 -1900.0 0.01245772347 0.02818683461 0.04192430857 0.06997948818 0.1184116656 0.1816813845 0.3065624922 0.4935764648 1.024757927 1.792271239 3.706666007 8.19937607 -2000.0 0.01245772347 0.02818683461 0.04192430857 0.06997948818 0.1184116656 0.1816813845 0.3065624922 0.4935764648 1.024757927 1.792271239 3.706666007 8.19937607 +633.0 0.01245774085 0.02819150208 0.0421299977 0.09386545094 0.1240746149 0.1910720296 0.3097670059 0.4915438748 1.002998473 1.770318476 3.672267343 7.808951773 +700.0 0.01245774085 0.02819150208 0.0421299977 0.09386545094 0.1240746149 0.1910720296 0.3097670059 0.4915438748 1.002998473 1.770318476 3.672267343 7.808951773 +800.0 0.01245774085 0.02819150208 0.0421299977 0.09386545094 0.1240746149 0.1910720296 0.3097670059 0.4915438748 1.002998473 1.770318476 3.672267343 7.808951773 +900.0 0.01245774085 0.02819150208 0.0421299977 0.09386545094 0.1240746149 0.1910720296 0.3097670059 0.4915438748 1.002998473 1.770318476 3.672267343 7.808951773 +1000.0 0.01245774085 0.02819150208 0.0421299977 0.09386545094 0.1240746149 0.1910720296 0.3097670059 0.4915438748 1.002998473 1.770318476 3.672267343 7.808951773 +1100.0 0.01245774085 0.02819150208 0.0421299977 0.09386545094 0.1240746149 0.1910720296 0.3097670059 0.4915438748 1.002998473 1.770318476 3.672267343 7.808951773 +1200.0 0.01245774085 0.02819150208 0.0421299977 0.09386545094 0.1240746149 0.1910720296 0.3097670059 0.4915438748 1.002998473 1.770318476 3.672267343 7.808951773 +1300.0 0.01245774085 0.02819150208 0.0421299977 0.09386545094 0.1240746149 0.1910720296 0.3097670059 0.4915438748 1.002998473 1.770318476 3.672267343 7.808951773 +1400.0 0.01245774085 0.02819150208 0.0421299977 0.09386545094 0.1240746149 0.1910720296 0.3097670059 0.4915438748 1.002998473 1.770318476 3.672267343 7.808951773 +1500.0 0.01245774085 0.02819150208 0.0421299977 0.09386545094 0.1240746149 0.1910720296 0.3097670059 0.4915438748 1.002998473 1.770318476 3.672267343 7.808951773 +1600.0 0.01245774085 0.02819150208 0.0421299977 0.09386545094 0.1240746149 0.1910720296 0.3097670059 0.4915438748 1.002998473 1.770318476 3.672267343 7.808951773 +1700.0 0.01245774085 0.02819150208 0.0421299977 0.09386545094 0.1240746149 0.1910720296 0.3097670059 0.4915438748 1.002998473 1.770318476 3.672267343 7.808951773 +1800.0 0.01245774085 0.02819150208 0.0421299977 0.09386545094 0.1240746149 0.1910720296 0.3097670059 0.4915438748 1.002998473 1.770318476 3.672267343 7.808951773 +1900.0 0.01245774085 0.02819150208 0.0421299977 0.09386545094 0.1240746149 0.1910720296 0.3097670059 0.4915438748 1.002998473 1.770318476 3.672267343 7.808951773 +2000.0 0.01245774085 0.02819150208 0.0421299977 0.09386545094 0.1240746149 0.1910720296 0.3097670059 0.4915438748 1.002998473 1.770318476 3.672267343 7.808951773 diff --git a/examples/MSRE_moltres/data/msre_gentry_4g_moder_rod0_BETA_EFF_12g.txt b/examples/MSRE_moltres/data/msre_gentry_4g_moder_rod0_BETA_EFF_12g.txt deleted file mode 100644 index e1085fa7..00000000 --- a/examples/MSRE_moltres/data/msre_gentry_4g_moder_rod0_BETA_EFF_12g.txt +++ /dev/null @@ -1,14 +0,0 @@ -633.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -700.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -800.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -900.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1000.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1100.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1200.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1300.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1400.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1500.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1600.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1700.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1800.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1900.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 diff --git a/examples/MSRE_moltres/data/msre_gentry_4g_moder_rod0_BETA_EFF_6g.txt b/examples/MSRE_moltres/data/msre_gentry_4g_moder_rod0_BETA_EFF_6g.txt deleted file mode 100644 index acefa3ed..00000000 --- a/examples/MSRE_moltres/data/msre_gentry_4g_moder_rod0_BETA_EFF_6g.txt +++ /dev/null @@ -1,14 +0,0 @@ -633.0 0.0 0.0 0.0 0.0 0.0 0.0 -700.0 0.0 0.0 0.0 0.0 0.0 0.0 -800.0 0.0 0.0 0.0 0.0 0.0 0.0 -900.0 0.0 0.0 0.0 0.0 0.0 0.0 -1000.0 0.0 0.0 0.0 0.0 0.0 0.0 -1100.0 0.0 0.0 0.0 0.0 0.0 0.0 -1200.0 0.0 0.0 0.0 0.0 0.0 0.0 -1300.0 0.0 0.0 0.0 0.0 0.0 0.0 -1400.0 0.0 0.0 0.0 0.0 0.0 0.0 -1500.0 0.0 0.0 0.0 0.0 0.0 0.0 -1600.0 0.0 0.0 0.0 0.0 0.0 0.0 -1700.0 0.0 0.0 0.0 0.0 0.0 0.0 -1800.0 0.0 0.0 0.0 0.0 0.0 0.0 -1900.0 0.0 0.0 0.0 0.0 0.0 0.0 diff --git a/examples/MSRE_moltres/data/msre_gentry_4g_moder_rod0_LAMBDA_12g.txt b/examples/MSRE_moltres/data/msre_gentry_4g_moder_rod0_LAMBDA_12g.txt deleted file mode 100644 index e1085fa7..00000000 --- a/examples/MSRE_moltres/data/msre_gentry_4g_moder_rod0_LAMBDA_12g.txt +++ /dev/null @@ -1,14 +0,0 @@ -633.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -700.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -800.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -900.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1000.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1100.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1200.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1300.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1400.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1500.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1600.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1700.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1800.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -1900.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 diff --git a/examples/MSRE_moltres/data/msre_gentry_4g_moder_rod0_LAMBDA_6g.txt b/examples/MSRE_moltres/data/msre_gentry_4g_moder_rod0_LAMBDA_6g.txt deleted file mode 100644 index acefa3ed..00000000 --- a/examples/MSRE_moltres/data/msre_gentry_4g_moder_rod0_LAMBDA_6g.txt +++ /dev/null @@ -1,14 +0,0 @@ -633.0 0.0 0.0 0.0 0.0 0.0 0.0 -700.0 0.0 0.0 0.0 0.0 0.0 0.0 -800.0 0.0 0.0 0.0 0.0 0.0 0.0 -900.0 0.0 0.0 0.0 0.0 0.0 0.0 -1000.0 0.0 0.0 0.0 0.0 0.0 0.0 -1100.0 0.0 0.0 0.0 0.0 0.0 0.0 -1200.0 0.0 0.0 0.0 0.0 0.0 0.0 -1300.0 0.0 0.0 0.0 0.0 0.0 0.0 -1400.0 0.0 0.0 0.0 0.0 0.0 0.0 -1500.0 0.0 0.0 0.0 0.0 0.0 0.0 -1600.0 0.0 0.0 0.0 0.0 0.0 0.0 -1700.0 0.0 0.0 0.0 0.0 0.0 0.0 -1800.0 0.0 0.0 0.0 0.0 0.0 0.0 -1900.0 0.0 0.0 0.0 0.0 0.0 0.0 diff --git a/mosden/data/chemical_rates/ALL.csv b/mosden/data/chemical_rates/ALL.csv new file mode 100644 index 00000000..b790824c --- /dev/null +++ b/mosden/data/chemical_rates/ALL.csv @@ -0,0 +1,43 @@ +Element,Scaled Rate +I,999 +Rb,999 +Br,999 +As,999 +Y,999 +Cs,999 +Sb,999 +Te,999 +Kr,999 +Se,999 +Nb,999 +La,999 +Xe,999 +Zr,999 +Sn,999 +Ge,999 +Sr,999 +Ba,999 +Ga,999 +In,999 +Mo,999 +Rh,999 +Tc,999 +Zn,999 +Cu,999 +He,999 +Ag,999 +Cd,999 +Li,999 +Ni,999 +Co,999 +Pd,999 +Mn,999 +Cr,999 +Pm,999 +Pr,999 +Eu,999 +Fe,999 +Sm,999 +Ce,999 +V,999 +Gd,999 \ No newline at end of file From 4e1aac08a1e27b4e4f041199c8461aec900b2218 Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Mon, 29 Jun 2026 12:42:19 -0500 Subject: [PATCH 258/259] Cleanup Moltres example --- examples/MSRE_moltres/README.md | 9 ++- examples/MSRE_moltres/auto_diff_rho.i | 17 ++--- .../msre_gentry_4g_fuel_rod0_BETA_EFF.txt | 30 ++++---- ...re_gentry_4g_fuel_rod0_BETA_EFF_ALL_12.txt | 15 ++++ ...sre_gentry_4g_fuel_rod0_BETA_EFF_ALL_6.txt | 15 ++++ .../data/msre_gentry_4g_fuel_rod0_LAMBDA.txt | 30 ++++---- ...msre_gentry_4g_fuel_rod0_LAMBDA_ALL_12.txt | 15 ++++ .../msre_gentry_4g_fuel_rod0_LAMBDA_ALL_6.txt | 15 ++++ .../msre_gentry_4g_moder_rod0_BETA_EFF.txt | 14 ++++ .../msre_gentry_4g_moder_rod0_BETA_EFF_12.txt | 14 ++++ .../msre_gentry_4g_moder_rod0_BETA_EFF_6.txt | 14 ++++ .../data/msre_gentry_4g_moder_rod0_LAMBDA.txt | 14 ++++ .../msre_gentry_4g_moder_rod0_LAMBDA_12.txt | 14 ++++ .../msre_gentry_4g_moder_rod0_LAMBDA_6.txt | 14 ++++ examples/MSRE_moltres/no_dnp_sim.i | 76 +++++++++---------- examples/MSRE_moltres/sub.i | 49 +----------- 16 files changed, 223 insertions(+), 132 deletions(-) create mode 100644 examples/MSRE_moltres/data/msre_gentry_4g_fuel_rod0_BETA_EFF_ALL_12.txt create mode 100644 examples/MSRE_moltres/data/msre_gentry_4g_fuel_rod0_BETA_EFF_ALL_6.txt create mode 100644 examples/MSRE_moltres/data/msre_gentry_4g_fuel_rod0_LAMBDA_ALL_12.txt create mode 100644 examples/MSRE_moltres/data/msre_gentry_4g_fuel_rod0_LAMBDA_ALL_6.txt create mode 100644 examples/MSRE_moltres/data/msre_gentry_4g_moder_rod0_BETA_EFF.txt create mode 100644 examples/MSRE_moltres/data/msre_gentry_4g_moder_rod0_BETA_EFF_12.txt create mode 100644 examples/MSRE_moltres/data/msre_gentry_4g_moder_rod0_BETA_EFF_6.txt create mode 100644 examples/MSRE_moltres/data/msre_gentry_4g_moder_rod0_LAMBDA.txt create mode 100644 examples/MSRE_moltres/data/msre_gentry_4g_moder_rod0_LAMBDA_12.txt create mode 100644 examples/MSRE_moltres/data/msre_gentry_4g_moder_rod0_LAMBDA_6.txt diff --git a/examples/MSRE_moltres/README.md b/examples/MSRE_moltres/README.md index 7d69ebce..0fc8fc80 100644 --- a/examples/MSRE_moltres/README.md +++ b/examples/MSRE_moltres/README.md @@ -5,8 +5,13 @@ To run with Moltres, first `conda activate moose` and then The data that will need to be changed is `msre_gentry_4g_fuel_rod0_BETA_EFF` and `msre_gentry_4g_fuel_rod0_LAMBDA`. -If using a different number of groups, then the `moder` values will also have -to be changed so that there are the same number of groups. +If using a different number of delayed neutron precursor groups, +then the `moder` values will also have to be changed +so that there are the same number of groups. +The default data used is 6 groups with no chemical removal calculated for +thermal fission of uranium-235 using JENDL-5 nuclear data. +The number of groups must also be changed in the input files `auto_diff_rho.i` +and `no_dnp_sim.i`. To convert MoSDeN delayed neutron yields to betas, simply divide by 2.4355 (for thermal U235, for others see https://nds.iaea.org/sgnucdat/a6.htm). The `data` directory provides several different possible values, simply rename diff --git a/examples/MSRE_moltres/auto_diff_rho.i b/examples/MSRE_moltres/auto_diff_rho.i index 241bd821..7dd25cfe 100644 --- a/examples/MSRE_moltres/auto_diff_rho.i +++ b/examples/MSRE_moltres/auto_diff_rho.i @@ -8,13 +8,14 @@ H = 162.56 [GlobalParams] num_groups = 4 - num_precursor_groups = 12 + num_precursor_groups = 6 + #num_precursor_groups = 12 use_exp_form = false group_fluxes = 'group1 group2 group3 group4' temperature = temp sss2_input = true - #pre_concs = 'pre1 pre2 pre3 pre4 pre5 pre6' - pre_concs = 'pre1 pre2 pre3 pre4 pre5 pre6 pre7 pre8 pre9 pre10 pre11 pre12' + pre_concs = 'pre1 pre2 pre3 pre4 pre5 pre6' + #pre_concs = 'pre1 pre2 pre3 pre4 pre5 pre6 pre7 pre8 pre9 pre10 pre11 pre12' account_delayed = true nt_scale = ${nt_scale} [] @@ -90,7 +91,7 @@ H = 162.56 [] [temp_advection_fuel] type = ConservativeTemperatureAdvection - velocity_variable = '0 ${flow_velocity} 0' + velocity_variable = '0 18.06 0' variable = temp block = 'fuel' [] @@ -104,17 +105,11 @@ H = 162.56 offset = -27.8 variable = temp [] - # [./temp_diri_cg] - # boundary = 'moder_bottoms fuel_bottoms outer_wall' - # type = FunctionDirichletBC - # function = 'temp_bc_func' - # variable = temp - # [../] [temp_advection_outlet] boundary = 'fuel_tops' type = TemperatureOutflowBC variable = temp - velocity = '0 ${flow_velocity} 0' + velocity = '0 18.06 0' [] [] diff --git a/examples/MSRE_moltres/data/msre_gentry_4g_fuel_rod0_BETA_EFF.txt b/examples/MSRE_moltres/data/msre_gentry_4g_fuel_rod0_BETA_EFF.txt index 40d71802..6804c0d3 100644 --- a/examples/MSRE_moltres/data/msre_gentry_4g_fuel_rod0_BETA_EFF.txt +++ b/examples/MSRE_moltres/data/msre_gentry_4g_fuel_rod0_BETA_EFF.txt @@ -1,15 +1,15 @@ -633.0 0.00007666213729 0.000539376165 0.0003608872497 0.00008615116943 0.0007984133673 0.0007504865608 0.001612924571 0.0005137626329 0.0003300397025 0.0004480454296 0.000148137473 2.92E-06 -700.0 0.00007666213729 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0.0007457344761 +1900.0 0.0002280890545 0.001189342159 0.0005265522558 0.001896784561 0.001973301265 0.0007457344761 +2000.0 0.0002280890545 0.001189342159 0.0005265522558 0.001896784561 0.001973301265 0.0007457344761 diff --git a/examples/MSRE_moltres/data/msre_gentry_4g_fuel_rod0_BETA_EFF_ALL_12.txt b/examples/MSRE_moltres/data/msre_gentry_4g_fuel_rod0_BETA_EFF_ALL_12.txt new file mode 100644 index 00000000..40d71802 --- /dev/null +++ b/examples/MSRE_moltres/data/msre_gentry_4g_fuel_rod0_BETA_EFF_ALL_12.txt @@ -0,0 +1,15 @@ +633.0 0.00007666213729 0.000539376165 0.0003608872497 0.00008615116943 0.0007984133673 0.0007504865608 0.001612924571 0.0005137626329 0.0003300397025 0.0004480454296 0.000148137473 2.92E-06 +700.0 0.00007666213729 0.000539376165 0.0003608872497 0.00008615116943 0.0007984133673 0.0007504865608 0.001612924571 0.0005137626329 0.0003300397025 0.0004480454296 0.000148137473 2.92E-06 +800.0 0.00007666213729 0.000539376165 0.0003608872497 0.00008615116943 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0.0003300397025 0.0004480454296 0.000148137473 2.92E-06 +1900.0 0.00007666213729 0.000539376165 0.0003608872497 0.00008615116943 0.0007984133673 0.0007504865608 0.001612924571 0.0005137626329 0.0003300397025 0.0004480454296 0.000148137473 2.92E-06 +2000.0 0.00007666213729 0.000539376165 0.0003608872497 0.00008615116943 0.0007984133673 0.0007504865608 0.001612924571 0.0005137626329 0.0003300397025 0.0004480454296 0.000148137473 2.92E-06 diff --git a/examples/MSRE_moltres/data/msre_gentry_4g_fuel_rod0_BETA_EFF_ALL_6.txt b/examples/MSRE_moltres/data/msre_gentry_4g_fuel_rod0_BETA_EFF_ALL_6.txt new file mode 100644 index 00000000..2b161093 --- /dev/null +++ b/examples/MSRE_moltres/data/msre_gentry_4g_fuel_rod0_BETA_EFF_ALL_6.txt @@ -0,0 +1,15 @@ +633.0 0.00007768712241 0.0006567586702 0.0003687881542 0.001739626575 0.002023593867 0.0007951929574 +700.0 0.00007768712241 0.0006567586702 0.0003687881542 0.001739626575 0.002023593867 0.0007951929574 +800.0 0.00007768712241 0.0006567586702 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0.00007768712241 0.0006567586702 0.0003687881542 0.001739626575 0.002023593867 0.0007951929574 +1900.0 0.00007768712241 0.0006567586702 0.0003687881542 0.001739626575 0.002023593867 0.0007951929574 +2000.0 0.00007768712241 0.0006567586702 0.0003687881542 0.001739626575 0.002023593867 0.0007951929574 diff --git a/examples/MSRE_moltres/data/msre_gentry_4g_fuel_rod0_LAMBDA.txt b/examples/MSRE_moltres/data/msre_gentry_4g_fuel_rod0_LAMBDA.txt index 9ed0b745..b1d23567 100644 --- a/examples/MSRE_moltres/data/msre_gentry_4g_fuel_rod0_LAMBDA.txt +++ b/examples/MSRE_moltres/data/msre_gentry_4g_fuel_rod0_LAMBDA.txt @@ -1,15 +1,15 @@ -633.0 0.01245774085 0.02819150208 0.0421299977 0.09386545094 0.1240746149 0.1910720296 0.3097670059 0.4915438748 1.002998473 1.770318476 3.672267343 7.808951773 -700.0 0.01245774085 0.02819150208 0.0421299977 0.09386545094 0.1240746149 0.1910720296 0.3097670059 0.4915438748 1.002998473 1.770318476 3.672267343 7.808951773 -800.0 0.01245774085 0.02819150208 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3.672267343 7.808951773 +2000.0 0.01245774085 0.02819150208 0.0421299977 0.09386545094 0.1240746149 0.1910720296 0.3097670059 0.4915438748 1.002998473 1.770318476 3.672267343 7.808951773 diff --git a/examples/MSRE_moltres/data/msre_gentry_4g_fuel_rod0_LAMBDA_ALL_6.txt b/examples/MSRE_moltres/data/msre_gentry_4g_fuel_rod0_LAMBDA_ALL_6.txt new file mode 100644 index 00000000..daa0c95a --- /dev/null +++ b/examples/MSRE_moltres/data/msre_gentry_4g_fuel_rod0_LAMBDA_ALL_6.txt @@ -0,0 +1,15 @@ +633.0 0.01248393746 0.02912894645 0.05453684151 0.1613567328 0.3847274105 1.8796247 +700.0 0.01248393746 0.02912894645 0.05453684151 0.1613567328 0.3847274105 1.8796247 +800.0 0.01248393746 0.02912894645 0.05453684151 0.1613567328 0.3847274105 1.8796247 +900.0 0.01248393746 0.02912894645 0.05453684151 0.1613567328 0.3847274105 1.8796247 +1000.0 0.01248393746 0.02912894645 0.05453684151 0.1613567328 0.3847274105 1.8796247 +1100.0 0.01248393746 0.02912894645 0.05453684151 0.1613567328 0.3847274105 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b/examples/MSRE_moltres/data/msre_gentry_4g_moder_rod0_BETA_EFF.txt @@ -0,0 +1,14 @@ +633.0 0.0 0.0 0.0 0.0 0.0 0.0 +700.0 0.0 0.0 0.0 0.0 0.0 0.0 +800.0 0.0 0.0 0.0 0.0 0.0 0.0 +900.0 0.0 0.0 0.0 0.0 0.0 0.0 +1000.0 0.0 0.0 0.0 0.0 0.0 0.0 +1100.0 0.0 0.0 0.0 0.0 0.0 0.0 +1200.0 0.0 0.0 0.0 0.0 0.0 0.0 +1300.0 0.0 0.0 0.0 0.0 0.0 0.0 +1400.0 0.0 0.0 0.0 0.0 0.0 0.0 +1500.0 0.0 0.0 0.0 0.0 0.0 0.0 +1600.0 0.0 0.0 0.0 0.0 0.0 0.0 +1700.0 0.0 0.0 0.0 0.0 0.0 0.0 +1800.0 0.0 0.0 0.0 0.0 0.0 0.0 +1900.0 0.0 0.0 0.0 0.0 0.0 0.0 diff --git a/examples/MSRE_moltres/data/msre_gentry_4g_moder_rod0_BETA_EFF_12.txt b/examples/MSRE_moltres/data/msre_gentry_4g_moder_rod0_BETA_EFF_12.txt new file mode 100644 index 00000000..e1085fa7 --- /dev/null +++ b/examples/MSRE_moltres/data/msre_gentry_4g_moder_rod0_BETA_EFF_12.txt @@ -0,0 +1,14 @@ +633.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 +700.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 +800.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 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0.0 0.0 0.0 +900.0 0.0 0.0 0.0 0.0 0.0 0.0 +1000.0 0.0 0.0 0.0 0.0 0.0 0.0 +1100.0 0.0 0.0 0.0 0.0 0.0 0.0 +1200.0 0.0 0.0 0.0 0.0 0.0 0.0 +1300.0 0.0 0.0 0.0 0.0 0.0 0.0 +1400.0 0.0 0.0 0.0 0.0 0.0 0.0 +1500.0 0.0 0.0 0.0 0.0 0.0 0.0 +1600.0 0.0 0.0 0.0 0.0 0.0 0.0 +1700.0 0.0 0.0 0.0 0.0 0.0 0.0 +1800.0 0.0 0.0 0.0 0.0 0.0 0.0 +1900.0 0.0 0.0 0.0 0.0 0.0 0.0 diff --git a/examples/MSRE_moltres/data/msre_gentry_4g_moder_rod0_LAMBDA.txt b/examples/MSRE_moltres/data/msre_gentry_4g_moder_rod0_LAMBDA.txt new file mode 100644 index 00000000..acefa3ed --- /dev/null +++ b/examples/MSRE_moltres/data/msre_gentry_4g_moder_rod0_LAMBDA.txt @@ -0,0 +1,14 @@ +633.0 0.0 0.0 0.0 0.0 0.0 0.0 +700.0 0.0 0.0 0.0 0.0 0.0 0.0 +800.0 0.0 0.0 0.0 0.0 0.0 0.0 +900.0 0.0 0.0 0.0 0.0 0.0 0.0 +1000.0 0.0 0.0 0.0 0.0 0.0 0.0 +1100.0 0.0 0.0 0.0 0.0 0.0 0.0 +1200.0 0.0 0.0 0.0 0.0 0.0 0.0 +1300.0 0.0 0.0 0.0 0.0 0.0 0.0 +1400.0 0.0 0.0 0.0 0.0 0.0 0.0 +1500.0 0.0 0.0 0.0 0.0 0.0 0.0 +1600.0 0.0 0.0 0.0 0.0 0.0 0.0 +1700.0 0.0 0.0 0.0 0.0 0.0 0.0 +1800.0 0.0 0.0 0.0 0.0 0.0 0.0 +1900.0 0.0 0.0 0.0 0.0 0.0 0.0 diff --git a/examples/MSRE_moltres/data/msre_gentry_4g_moder_rod0_LAMBDA_12.txt b/examples/MSRE_moltres/data/msre_gentry_4g_moder_rod0_LAMBDA_12.txt new file mode 100644 index 00000000..e1085fa7 --- /dev/null +++ b/examples/MSRE_moltres/data/msre_gentry_4g_moder_rod0_LAMBDA_12.txt @@ -0,0 +1,14 @@ +633.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 +700.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 +800.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 +900.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 +1000.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 +1100.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 +1200.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 +1300.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 +1400.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 +1500.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 +1600.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 +1700.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 +1800.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 +1900.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 diff --git a/examples/MSRE_moltres/data/msre_gentry_4g_moder_rod0_LAMBDA_6.txt b/examples/MSRE_moltres/data/msre_gentry_4g_moder_rod0_LAMBDA_6.txt new file mode 100644 index 00000000..acefa3ed --- /dev/null +++ b/examples/MSRE_moltres/data/msre_gentry_4g_moder_rod0_LAMBDA_6.txt @@ -0,0 +1,14 @@ +633.0 0.0 0.0 0.0 0.0 0.0 0.0 +700.0 0.0 0.0 0.0 0.0 0.0 0.0 +800.0 0.0 0.0 0.0 0.0 0.0 0.0 +900.0 0.0 0.0 0.0 0.0 0.0 0.0 +1000.0 0.0 0.0 0.0 0.0 0.0 0.0 +1100.0 0.0 0.0 0.0 0.0 0.0 0.0 +1200.0 0.0 0.0 0.0 0.0 0.0 0.0 +1300.0 0.0 0.0 0.0 0.0 0.0 0.0 +1400.0 0.0 0.0 0.0 0.0 0.0 0.0 +1500.0 0.0 0.0 0.0 0.0 0.0 0.0 +1600.0 0.0 0.0 0.0 0.0 0.0 0.0 +1700.0 0.0 0.0 0.0 0.0 0.0 0.0 +1800.0 0.0 0.0 0.0 0.0 0.0 0.0 +1900.0 0.0 0.0 0.0 0.0 0.0 0.0 diff --git a/examples/MSRE_moltres/no_dnp_sim.i b/examples/MSRE_moltres/no_dnp_sim.i index 5c788bc5..ff858a47 100644 --- a/examples/MSRE_moltres/no_dnp_sim.i +++ b/examples/MSRE_moltres/no_dnp_sim.i @@ -8,13 +8,14 @@ H = 162.56 [GlobalParams] num_groups = 4 - num_precursor_groups = 12 + num_precursor_groups = 6 + #num_precursor_groups = 12 use_exp_form = false group_fluxes = 'group1 group2 group3 group4' temperature = temp sss2_input = true - #pre_concs = 'pre1 pre2 pre3 pre4 pre5 pre6' - pre_concs = 'pre1 pre2 pre3 pre4 pre5 pre6 pre7 pre8 pre9 pre10 pre11 pre12' + pre_concs = 'pre1 pre2 pre3 pre4 pre5 pre6' + #pre_concs = 'pre1 pre2 pre3 pre4 pre5 pre6 pre7 pre8 pre9 pre10 pre11 pre12' account_delayed = true nt_scale = ${nt_scale} [] @@ -55,36 +56,36 @@ H = 162.56 variable = pre6 value = 0 [] - [pre7_zero] - type = ConstantIC - variable = pre7 - value = 0 - [] - [pre8_zero] - type = ConstantIC - variable = pre8 - value = 0 - [] - [pre9_zero] - type = ConstantIC - variable = pre9 - value = 0 - [] - [pre10_zero] - type = ConstantIC - variable = pre10 - value = 0 - [] - [pre11_zero] - type = ConstantIC - variable = pre11 - value = 0 - [] - [pre12_zero] - type = ConstantIC - variable = pre12 - value = 0 - [] +# [pre7_zero] +# type = ConstantIC +# variable = pre7 +# value = 0 +# [] +# [pre8_zero] +# type = ConstantIC +# variable = pre8 +# value = 0 +# [] +# [pre9_zero] +# type = ConstantIC +# variable = pre9 +# value = 0 +# [] +# [pre10_zero] +# type = ConstantIC +# variable = pre10 +# value = 0 +# [] +# [pre11_zero] +# type = ConstantIC +# variable = pre11 +# value = 0 +# [] +# [pre12_zero] +# type = ConstantIC +# variable = pre12 +# value = 0 +# [] [] [Mesh] @@ -117,12 +118,10 @@ H = 162.56 w_def = 0 nt_exp_form = false loop_precursors = false - #multi_app = loopApp is_loopapp = false inlet_boundaries = 'fuel_bottoms' family = MONOMIAL order = CONSTANT - # jac_test = true [] [] @@ -136,7 +135,6 @@ H = 162.56 [] [Kernels] - # Temperature [temp_time_derivative] type = MatINSTemperatureTimeDerivative variable = temp @@ -174,12 +172,6 @@ H = 162.56 offset = -27.8 variable = temp [] - # [./temp_diri_cg] - # boundary = 'moder_bottoms fuel_bottoms outer_wall' - # type = FunctionDirichletBC - # function = 'temp_bc_func' - # variable = temp - # [../] [temp_advection_outlet] boundary = 'fuel_tops' type = TemperatureOutflowBC diff --git a/examples/MSRE_moltres/sub.i b/examples/MSRE_moltres/sub.i index 6d58df35..7526b967 100644 --- a/examples/MSRE_moltres/sub.i +++ b/examples/MSRE_moltres/sub.i @@ -3,7 +3,8 @@ ini_temp = 922 [GlobalParams] num_groups = 4 - num_precursor_groups = 12 + num_precursor_groups = 6 + #num_precursor_groups = 12 group_fluxes = '0 0 0 0' temperature = temp sss2_input = true @@ -51,28 +52,6 @@ ini_temp = 922 type = MatINSTemperatureTimeDerivative variable = temp [../] - # [./temp_source_fuel] - # type = TransientFissionHeatSource - # variable = temp - # nt_scale=${nt_scale} - # [../] - # [./temp_source_mod] - # type = GammaHeatSource - # variable = temp - # gamma = .0144 # Cammi .0144 - # block = 'moder' - # average_fission_heat = 'average_fission_heat' - # [../] - # [./temp_diffusion] - # type = MatDiffusion - # diffusivity = 'k' - # variable = temp - # [../] - # [./temp_advection_fuel] - # type = ConservativeTemperatureAdvection - # velocity = '${flow_velocity} 0 0' - # variable = temp - # [../] [] [DGKernels] @@ -93,12 +72,6 @@ ini_temp = 922 variable = temp uu = ${flow_velocity} [../] - # [./diri] - # boundary = 'left' - # type = DirichletBC - # variable = temp - # value = 930 - # [../] [./temp_advection_outlet] boundary = 'right' type = TemperatureOutflowBC @@ -191,21 +164,3 @@ ini_temp = 922 [Debug] show_var_residual_norms = true [] - -# connect inlet and outlet to multiapp -# [Transfers] -# [./to_core] -# type = MultiAppPostprocessorTransfer -# multi_app = MoltresApp -# from_postprocessor = loopEndTemp -# to_postprocessor = inlet_mean_temp -# direction = to_multiapp -# [../] -# [./from_core] -# type = MultiAppPostprocessorTransfer -# multi_app = MoltresApp -# from_postprocessor = coreEndTemp -# to_postprocessor = coreEndTemp -# direction = to_multiapp -# [../] -# [] From 1a2cb7dfb2c14467f86af6b7be6d6a70ae529dd4 Mon Sep 17 00:00:00 2001 From: LukeSeifert Date: Mon, 29 Jun 2026 12:52:56 -0500 Subject: [PATCH 259/259] Minor input file updates --- examples/high_fidelity/input.json | 2 +- examples/iaea_matching/input.json | 4 ++-- examples/phd_results/results_generator.py | 3 ++- 3 files changed, 5 insertions(+), 4 deletions(-) diff --git a/examples/high_fidelity/input.json b/examples/high_fidelity/input.json index d0b724f3..e37710c0 100644 --- a/examples/high_fidelity/input.json +++ b/examples/high_fidelity/input.json @@ -69,7 +69,7 @@ "group_options": { "num_groups": 6, "method": "nlls", - "energy_groups_MeV": [0,3.00E-09,5.00E-09,6.90E-09,1.00E-08,1.50E-08,2.00E-08,2.50E-08,3.00E-08,3.50E-08,4.20E-08,5.00E-08,5.80E-08,6.70E-08,7.70E-08,8.00E-08,9.50E-08,1.00E-07,1.15E-07,1.34E-07,1.40E-07,1.60E-07,1.80E-07,1.89E-07,2.20E-07,2.48E-07,2.80E-07,3.00E-07,3.15E-07,3.20E-07,3.50E-07,3.91E-07,4.00E-07,4.33E-07,4.85E-07,5.00E-07,5.40E-07,6.25E-07,7.05E-07,7.80E-07,7.90E-07,8.50E-07,8.60E-07,9.10E-07,9.30E-07,9.50E-07,9.72E-07,9.86E-07,9.96E-07,1.02E-06,1.04E-06,1.05E-06,1.07E-06,1.10E-06,1.11E-06,1.13E-06,1.15E-06,1.17E-06,1.24E-06,1.30E-06,1.34E-06,1.37E-06,1.44E-06,1.48E-06,1.50E-06,1.59E-06,1.67E-06,1.76E-06,1.84E-06,1.93E-06,2.02E-06,2.10E-06,2.13E-06,2.36E-06,2.55E-06,2.60E-06,2.72E-06,2.77E-06,3.30E-06,3.38E-06,4.00E-06,4.13E-06,5.04E-06,5.35E-06,6.16E-06,7.52E-06,8.32E-06,9.19E-06,9.91E-06,1.12E-05,1.37E-05,1.59E-05,1.95E-05,2.26E-05,2.50E-05,2.76E-05,3.05E-05,3.37E-05,3.73E-05,4.02E-05,4.55E-05,4.83E-05,5.16E-05,5.56E-05,6.79E-05,7.57E-05,9.17E-05,1.37E-04,1.49E-04,2.04E-04,3.04E-04,3.72E-04,4.54E-04,6.77E-04,7.49E-04,9.14E-04,1.01E-03,1.23E-03,1.43E-03,1.51E-03,2.03E-03,2.25E-03,3.35E-03,3.53E-03,5.00E-03,5.50E-03,7.47E-03,9.12E-03,1.11E-02,1.50E-02,1.66E-02,2.48E-02,2.74E-02,2.93E-02,3.70E-02,4.09E-02,5.52E-02,6.74E-02,8.23E-02,1.11E-01,1.23E-01,1.83E-01,2.47E-01,2.73E-01,3.02E-01,4.08E-01,4.50E-01,4.98E-01,5.50E-01,6.08E-01,8.21E-01,9.07E-01,1.00E+00,1.11E+00,1.22E+00,1.35E+00,1.65E+00,2.02E+00,2.23E+00,2.47E+00,3.01E+00,3.68E+00,4.49E+00,5.49E+00,6.07E+00,6.70E+00,8.19E+00,1.00E+01,1.00E+03], + "_energy_groups_MeV": [0,0.01,0.02,0.03,0.04,0.05,0.06,0.07,0.08,0.09,0.1,0.11,0.12,0.13,0.14,0.15,0.16,0.17,0.18,0.19,0.2,0.21,0.22,0.23,0.24,0.25,0.26,0.27,0.28,0.29,0.3,0.31,0.32,0.33,0.34,0.35,0.36,0.37,0.38,0.39,0.4,0.41,0.42,0.43,0.44,0.45,0.46,0.47,0.48,0.49,0.5,0.51,0.52,0.53,0.54,0.55,0.56,0.57,0.58,0.59,0.6,0.61,0.62,0.63,0.64,0.65,0.66,0.67,0.68,0.69,0.7,0.71,0.72,0.73,0.74,0.75,0.76,0.77,0.78,0.79,0.8,0.81,0.82,0.83,0.84,0.85,0.86,0.87,0.88,0.89,0.9,0.91,0.92,0.93,0.94,0.95,0.96,0.97,0.98,0.99,1,1.01,1.02,1.03,1.04,1.05,1.06,1.07,1.08,1.09,1.1,1.11,1.12,1.13,1.14,1.15,1.16,1.17,1.18,1.19,1.2,1.21,1.22,1.23,1.24,1.25,1.26,1.27,1.28,1.29,1.3,1.31,1.32,1.33,1.34,1.35,1.36,1.37,1.38,1.39,1.4,1.41,1.42,1.43,1.44,1.45,1.46,1.47,1.48,1.49,1.5,1.51,1.52,1.53,1.54,1.55,1.56,1.57,1.58,1.59,1.6], "parameter_guesses": 50, "initial_params": { "yields": [0.0005811, 0.00299617, 0.00166, 0.0065785, 0.00469921, 0.0021417], diff --git a/examples/iaea_matching/input.json b/examples/iaea_matching/input.json index b2e88d87..7aa95f48 100644 --- a/examples/iaea_matching/input.json +++ b/examples/iaea_matching/input.json @@ -43,8 +43,8 @@ "group_options": { "num_groups": 6, "method": "nlls", - "energy_groups_MeV": [0,3.00E-09,5.00E-09,6.90E-09,1.00E-08,1.50E-08,2.00E-08,2.50E-08,3.00E-08,3.50E-08,4.20E-08,5.00E-08,5.80E-08,6.70E-08,7.70E-08,8.00E-08,9.50E-08,1.00E-07,1.15E-07,1.34E-07,1.40E-07,1.60E-07,1.80E-07,1.89E-07,2.20E-07,2.48E-07,2.80E-07,3.00E-07,3.15E-07,3.20E-07,3.50E-07,3.91E-07,4.00E-07,4.33E-07,4.85E-07,5.00E-07,5.40E-07,6.25E-07,7.05E-07,7.80E-07,7.90E-07,8.50E-07,8.60E-07,9.10E-07,9.30E-07,9.50E-07,9.72E-07,9.86E-07,9.96E-07,1.02E-06,1.04E-06,1.05E-06,1.07E-06,1.10E-06,1.11E-06,1.13E-06,1.15E-06,1.17E-06,1.24E-06,1.30E-06,1.34E-06,1.37E-06,1.44E-06,1.48E-06,1.50E-06,1.59E-06,1.67E-06,1.76E-06,1.84E-06,1.93E-06,2.02E-06,2.10E-06,2.13E-06,2.36E-06,2.55E-06,2.60E-06,2.72E-06,2.77E-06,3.30E-06,3.38E-06,4.00E-06,4.13E-06,5.04E-06,5.35E-06,6.16E-06,7.52E-06,8.32E-06,9.19E-06,9.91E-06,1.12E-05,1.37E-05,1.59E-05,1.95E-05,2.26E-05,2.50E-05,2.76E-05,3.05E-05,3.37E-05,3.73E-05,4.02E-05,4.55E-05,4.83E-05,5.16E-05,5.56E-05,6.79E-05,7.57E-05,9.17E-05,1.37E-04,1.49E-04,2.04E-04,3.04E-04,3.72E-04,4.54E-04,6.77E-04,7.49E-04,9.14E-04,1.01E-03,1.23E-03,1.43E-03,1.51E-03,2.03E-03,2.25E-03,3.35E-03,3.53E-03,5.00E-03,5.50E-03,7.47E-03,9.12E-03,1.11E-02,1.50E-02,1.66E-02,2.48E-02,2.74E-02,2.93E-02,3.70E-02,4.09E-02,5.52E-02,6.74E-02,8.23E-02,1.11E-01,1.23E-01,1.83E-01,2.47E-01,2.73E-01,3.02E-01,4.08E-01,4.50E-01,4.98E-01,5.50E-01,6.08E-01,8.21E-01,9.07E-01,1.00E+00,1.11E+00,1.22E+00,1.35E+00,1.65E+00,2.02E+00,2.23E+00,2.47E+00,3.01E+00,3.68E+00,4.49E+00,5.49E+00,6.07E+00,6.70E+00,8.19E+00,1.00E+01,1.00E+03], - "samples": 1, + "_energy_groups_MeV": [0,0.01,0.02,0.03,0.04,0.05,0.06,0.07,0.08,0.09,0.1,0.11,0.12,0.13,0.14,0.15,0.16,0.17,0.18,0.19,0.2,0.21,0.22,0.23,0.24,0.25,0.26,0.27,0.28,0.29,0.3,0.31,0.32,0.33,0.34,0.35,0.36,0.37,0.38,0.39,0.4,0.41,0.42,0.43,0.44,0.45,0.46,0.47,0.48,0.49,0.5,0.51,0.52,0.53,0.54,0.55,0.56,0.57,0.58,0.59,0.6,0.61,0.62,0.63,0.64,0.65,0.66,0.67,0.68,0.69,0.7,0.71,0.72,0.73,0.74,0.75,0.76,0.77,0.78,0.79,0.8,0.81,0.82,0.83,0.84,0.85,0.86,0.87,0.88,0.89,0.9,0.91,0.92,0.93,0.94,0.95,0.96,0.97,0.98,0.99,1,1.01,1.02,1.03,1.04,1.05,1.06,1.07,1.08,1.09,1.1,1.11,1.12,1.13,1.14,1.15,1.16,1.17,1.18,1.19,1.2,1.21,1.22,1.23,1.24,1.25,1.26,1.27,1.28,1.29,1.3,1.31,1.32,1.33,1.34,1.35,1.36,1.37,1.38,1.39,1.4,1.41,1.42,1.43,1.44,1.45,1.46,1.47,1.48,1.49,1.5,1.51,1.52,1.53,1.54,1.55,1.56,1.57,1.58,1.59,1.6], + "samples": 5000, "parameter_guesses": 50, "sample_func": "normal" }, diff --git a/examples/phd_results/results_generator.py b/examples/phd_results/results_generator.py index 5ff62f4b..d3678e2c 100644 --- a/examples/phd_results/results_generator.py +++ b/examples/phd_results/results_generator.py @@ -149,7 +149,8 @@ 'excore_s': [16], 'net_irrad_s': [100], 'samples': [5000], - 'reprocessing_scheme': [Reprocessing(base_input_file).removal_scheme()], + 'reprocessing_scheme': [Reprocessing(base_input_file).removal_scheme(rate_csv='ALL.csv', + rate_scaling=1.0)], 'energy_groups_MeV': [[0,0.01,0.02,0.03,0.04,0.05,0.06,0.07,0.08,0.09,0.1,0.11,0.12,0.13,0.14,0.15,0.16,0.17,0.18,0.19,0.2,0.21,0.22,0.23,0.24,0.25,0.26,0.27,0.28,0.29,0.3,0.31,0.32,0.33,0.34,0.35,0.36,0.37,0.38,0.39,0.4,0.41,0.42,0.43,0.44,0.45,0.46,0.47,0.48,0.49,0.5,0.51,0.52,0.53,0.54,0.55,0.56,0.57,0.58,0.59,0.6,0.61,0.62,0.63,0.64,0.65,0.66,0.67,0.68,0.69,0.7,0.71,0.72,0.73,0.74,0.75,0.76,0.77,0.78,0.79,0.8,0.81,0.82,0.83,0.84,0.85,0.86,0.87,0.88,0.89,0.9,0.91,0.92,0.93,0.94,0.95,0.96,0.97,0.98,0.99,1,1.01,1.02,1.03,1.04,1.05,1.06,1.07,1.08,1.09,1.1,1.11,1.12,1.13,1.14,1.15,1.16,1.17,1.18,1.19,1.2,1.21,1.22,1.23,1.24,1.25,1.26,1.27,1.28,1.29,1.3,1.31,1.32,1.33,1.34,1.35,1.36,1.37,1.38,1.39,1.4,1.41,1.42,1.43,1.44,1.45,1.46,1.47,1.48,1.49,1.5,1.51,1.52,1.53,1.54,1.55,1.56,1.57,1.58,1.59,1.6]], 'num_groups': [6, 8, 10, 12], 'multi_id': [name]