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Pull requests: QMCPACK/qmcpack

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Pull requests list

Nexus: Separate Structure.write_xyz() into Structure.write_xyz() and Structure.write_coords() documentation nexus python Pull requests that update python code
#5770 opened Jan 29, 2026 by brockdyer03 Loading…
@brockdyer03
Nexus: Split output and error messages by their newline characters nexus python Pull requests that update python code
#5769 opened Jan 29, 2026 by brockdyer03 Loading…
@brockdyer03
Copy nexus module files by nexus/install
#5768 opened Jan 29, 2026 by ye-luo Loading…
1
Refine find_nexus_module search locations and error handling
#5767 opened Jan 28, 2026 by ye-luo Loading… v4.2.0 Release
16
Nexus: Remove Structure.magnetize() cleanup For cleanling legacy lines of code nexus python Pull requests that update python code
#5766 opened Jan 28, 2026 by brockdyer03 Loading…
@brockdyer03
Format PyscfToQmcpack.py and PyscfToQmcpack_Spline.py python Pull requests that update python code
#5765 opened Jan 28, 2026 by brockdyer03 Loading…
Nexus: fix XML text parsing for non-uniform numeric types
#5756 opened Jan 22, 2026 by jtkrogel Loading… v4.2.0 Release
10
Nexus: Installable as a Python package documentation enhancement help wanted in progress nexus python Pull requests that update python code refactor
#5742 opened Jan 15, 2026 by brockdyer03 Loading…
7 tasks done
@brockdyer03
8
[WIP] Rename and relabel estimator tests as deterministic
#5735 opened Jan 13, 2026 by prckent • Draft
7
[WIP] Nexus: support override_variational_parameters in QMCPACK dependencies nexus
#5713 opened Dec 29, 2025 by jtkrogel • Draft
1
Enery density app level testing
#5676 opened Nov 22, 2025 by PDoakORNL Loading…
9
[WIP] Nexus: Enhanced simulations with error handling, branching and looping
#5673 opened Nov 20, 2025 by kayahans Loading…
3 of 5 tasks
3
[WIP] Degenerated CI Optimization
#5582 opened Jul 26, 2025 by NastaMauger Loading…
13
Change Kshell sorting precision to full precision
#5411 opened Apr 2, 2025 by ye-luo • Draft
1
6
[WIP] Nexus Wannier90 Interface
#5385 opened Mar 19, 2025 by kayahans Loading…
4 of 8 tasks
9
[WIP] Add cusp correction based on atomic orbitals
#4901 opened Jan 16, 2024 by mdewing • Draft
nexus rmg updates
#4747 opened Sep 26, 2023 by kgasperich Loading…
3 tasks done
@kgasperich @anbenali
10
[WIP] Soa spherical tensor
#4714 opened Aug 25, 2023 by anbenali Loading…
8
convert h5 orbs from spherical to Cartesian
#4364 opened Dec 14, 2022 by kgasperich Loading…
6
[WIP] Anisotropic Ewald code
#2182 opened Jan 3, 2020 by jtkrogel Loading…
26
[WIP] Change RNG seed generation scheme. in progress
#1174 opened Nov 27, 2018 by ye-luo Loading…
@ye-luo
5
ProTip! Updated in the last three days: updated:>2026-01-27.