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Pull requests: QMCPACK/qmcpack

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Pull requests list

Nexus: add conversion functions for str and Path path representations
#5944 opened May 5, 2026 by jtkrogel Contributor • Draft
1
Nexus: Move divert_nexus() and file path operations out of testing.py cleanup For cleanling legacy lines of code nexus python Pull requests that update python code testing
#5943 opened May 4, 2026 by brockdyer03 Contributor Loading…
7 of 8 tasks
@brockdyer03
1
Nexus: Add pathlib.Path support to SimulationInput.read() nexus python Pull requests that update python code
#5937 opened Apr 29, 2026 by brockdyer03 Contributor Loading…
@brockdyer03
2
Nexus: Update pseudopotential.py to accept pathlib.Path objects nexus python Pull requests that update python code
#5933 opened Apr 28, 2026 by brockdyer03 Contributor Loading…
@brockdyer03
5
[WIP] Update of Perlmutter build script help wanted
#5926 opened Apr 24, 2026 by brockdyer03 Contributor • Draft
7 tasks
@brockdyer03
2
Update src/spline2/tests Python code cleanup For cleanling legacy lines of code python Pull requests that update python code
#5922 opened Apr 23, 2026 by brockdyer03 Contributor Loading…
@brockdyer03
3
fix CoulombPBCAA per particle values for CPU build, prevent runs with broken offload per particle evaluation
#5865 opened Mar 26, 2026 by PDoakORNL Contributor Loading…
27
[WIP] Energy Density Bug Fixes
#5840 opened Mar 5, 2026 by PDoakORNL Contributor Loading…
Nexus: Add check for failure to properly call qmcpack executable nexus python Pull requests that update python code
#5836 opened Mar 3, 2026 by brockdyer03 Contributor • Draft
17
[WIP] Nexus: Rework of pwscf_input.py documentation enhancement help wanted in progress nexus python Pull requests that update python code refactor
#5823 opened Feb 20, 2026 by brockdyer03 Contributor • Draft
12 tasks
@kayahans @brockdyer03
19
[WIP] Nexus: Enhanced simulations with error handling, branching and looping
#5673 opened Nov 20, 2025 by kayahans Contributor Loading…
3 of 5 tasks
3
[WIP] Degenerated CI Optimization
#5582 opened Jul 26, 2025 by NastaMauger Contributor Loading…
13
Change Kshell sorting precision to full precision
#5411 opened Apr 2, 2025 by ye-luo Contributor • Draft
1
6
[WIP] Nexus Wannier90 Interface
#5385 opened Mar 19, 2025 by kayahans Contributor Loading…
4 of 8 tasks
9
[WIP] Add cusp correction based on atomic orbitals
#4901 opened Jan 16, 2024 by mdewing Contributor • Draft
nexus rmg updates
#4747 opened Sep 26, 2023 by kgasperich Contributor Loading…
3 tasks done
@kgasperich @anbenali
10
[WIP] Soa spherical tensor
#4714 opened Aug 25, 2023 by anbenali Contributor Loading…
8
convert h5 orbs from spherical to Cartesian
#4364 opened Dec 14, 2022 by kgasperich Contributor Loading…
6
[WIP] Anisotropic Ewald code
#2182 opened Jan 3, 2020 by jtkrogel Contributor Loading…
26
[WIP] Change RNG seed generation scheme. in progress
#1174 opened Nov 27, 2018 by ye-luo Contributor Loading…
@ye-luo
5
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