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Pull requests: QMCPACK/qmcpack

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Pull requests list

Nexus: Update qdens command-line argument parsing nexus python Pull requests that update python code
#6213 opened Sep 8, 2026 by brockdyer03 Contributor Loading…
Nexus: replace optparse in __init__.py with argparse nexus python Pull requests that update python code
#6211 opened Sep 7, 2026 by brockdyer03 Contributor Loading…
1
Nexus: Add tests for eshdf script, update dependencies to support it nexus python Pull requests that update python code
#6210 opened Sep 7, 2026 by brockdyer03 Contributor Loading…
3
Nexus: Move all log() functions to nxs_print() for future use of logging library nexus python Pull requests that update python code
#6209 opened Sep 5, 2026 by brockdyer03 Contributor Loading…
3
Nexus: Rework nexus_core, nexus_noncore, and nexus_core_noncore nexus python Pull requests that update python code
#6207 opened Sep 4, 2026 by brockdyer03 Contributor Loading…
1
Nexus: update PWscf analyzer documentation nexus python Pull requests that update python code
#6196 opened Sep 1, 2026 by jtkrogel Contributor Loading…
65
Update QMCPACK documentation style documentation python Pull requests that update python code
#6195 opened Sep 1, 2026 by brockdyer03 Contributor Loading…
@brockdyer03
2
Remove non-functional QMCPACK inputs c/c++ cmake nexus python Pull requests that update python code
#6184 opened Aug 31, 2026 by jtkrogel Contributor • Draft
6
SOA spherical tensor VGH c/c++ cmake python Pull requests that update python code
#6181 opened Aug 30, 2026 by shivupa Contributor Loading…
5
WIP: Supercell tiling and Hessian support for plane-wave orbitals c/c++ cmake
#6177 opened Aug 29, 2026 by prckent Contributor • Draft
4 of 8 tasks
Nexus: PseudoSet user guide documentation nexus python Pull requests that update python code
#6165 opened Aug 26, 2026 by brockdyer03 Contributor Loading…
@brockdyer03
21
Add missing batched deterministic integration tests c/c++ cmake nexus python Pull requests that update python code
#6164 opened Aug 25, 2026 by jtkrogel Contributor Loading…
27
Nexus: [Draft] Expanding dynamic workflows nexus python Pull requests that update python code
#6146 opened Aug 21, 2026 by kayahans Contributor • Draft
1
Nexus: update supported QMCPACK inputs c/c++ nexus python Pull requests that update python code
#6141 opened Aug 20, 2026 by jtkrogel Contributor Loading…
10
fixed issue with possible zero-sized gemm call in TWFFastDeriv code
#6004 opened Jun 22, 2026 by kgasperich Contributor Loading…
16
[WIP] Update of Perlmutter build script help wanted
#5926 opened Apr 24, 2026 by brockdyer03 Contributor • Draft
7 tasks
@brockdyer03
17
[WIP] Nexus: Enhanced simulations with error handling, branching and looping
#5673 opened Nov 20, 2025 by kayahans Contributor Loading…
3 of 5 tasks
3
Degenerated CI Optimization c/c++ documentation
#5582 opened Jul 26, 2025 by NastaMauger Contributor Loading…
14
Change Kshell sorting precision to full precision
#5411 opened Apr 2, 2025 by ye-luo Contributor • Draft
1
7
[WIP] Nexus Wannier90 Interface stale
#5385 opened Mar 19, 2025 by kayahans Contributor Loading…
4 of 8 tasks
10
[WIP] Add cusp correction based on atomic orbitals
#4901 opened Jan 16, 2024 by mdewing Contributor • Draft
2
nexus rmg updates
#4747 opened Sep 26, 2023 by kgasperich Contributor Loading…
3 tasks done
@kgasperich @anbenali
10
[WIP] Optimized Soa spherical tensor
#4714 opened Aug 25, 2023 by anbenali Contributor Loading…
10
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
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