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…gen bond center in adfcosmorsconformers.
- Fixed bug in AMSConvenientAnalysisJob classes introduced when made compatible with pisa * atom_indices passed as arguments were no longer used * AMSRDFJob failed always - Added tests for AMSConvenientAnalysisJob classes - Added tests for VACF and Viscosity jobs
Rosa Bulo (REB) SCMSUITE-- SO107: Fixed bug mdanalysis recipes
…fixes Update assertions in mdanalysis tests SO--
…lly in the SCM setup) SO--
Disable intersphinx extension in PLAMS docs build
SO101. Support MESP branch for additional DENSF calculation for hydro…
Removed compatibility note for AMS2023.
Add what's new section to PLAMS for 2026 SO--
Added code block with command to execute get_water_indices.py
Updated the documentation for BAND: NiO with DFT+U, including example usage and results line.
Update ConformersGeneration.rst
Revise BAND_NiO_HubbardU documentation
Update HydrogenBondsFromMD documentation
…nguage specification (no syntax highlighting without it) SO--
docs: fix syntax highlighting for literalincludes of Python code
enforce SCM_DISABLE_MPI for AMSJob with engine VASP SO--
…in AMSPlumedMD example. SO--
Current infretis seems to depend on this method, and it is generally useful anyway.
- There are small differences between the native Plams and sympy eigenvectors and timings, but indeed, they are not important to the user. The option to use sympy is good for unit testing, though.
Rosa Bulo (REB) SCMSUITE-- SO107 (Zoho-AT1-I138): Removed sympy example
Add a get_temperature() method to AMSWorkerMDState
…mple ams plumed example minor tweaks
Handle keyboard interrupts with serial jobrunner SO--
…-updates Update cosmo-rs examples
…t-grid-molecules allow ChemicalSystem with plams plot_grid_molecules SO--
Update job analysis and visualization examples SO--
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Can no longer be installed into amspython (on Linux, at least).