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Pull requests: QMCPACK/qmcpack

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Pull requests list

Nexus: trim down error keys to avoid false-positives nexus python Pull requests that update python code
#6259 opened Sep 18, 2026 by jtkrogel Contributor Loading…
16
Proper Handling of SpinDensity for subdomains of system cell and open boundary conditions c/c++
#6253 opened Sep 17, 2026 by PDoakORNL Contributor Loading…
5 tasks done
2
10
Nexus: Enable simulation-specific logging nexus python Pull requests that update python code
#6252 opened Sep 17, 2026 by brockdyer03 Contributor • Draft
1
Nexus: Harden error detection for QE runs nexus python Pull requests that update python code
#6251 opened Sep 17, 2026 by brockdyer03 Contributor Loading…
1
15
Nexus: Bump Python version to 3.11, and bump package versions documentation nexus python Pull requests that update python code
#6250 opened Sep 17, 2026 by brockdyer03 Contributor Loading…
Nexus: Refactor machines.py to simplify adding a new supercomputer documentation nexus python Pull requests that update python code
#6243 opened Sep 16, 2026 by brockdyer03 Contributor Loading…
4
Nexus: Migrate Simulation.application_results to use bit flags over set of strings nexus python Pull requests that update python code
#6242 opened Sep 16, 2026 by brockdyer03 Contributor • Draft
8
Nexus: Rework unnecessary set calls to set literals and remove unnecessary comprehensions nexus python Pull requests that update python code
#6241 opened Sep 16, 2026 by brockdyer03 Contributor Loading…
4
Nexus: Update qdens command-line argument parsing nexus python Pull requests that update python code
#6213 opened Sep 8, 2026 by brockdyer03 Contributor Loading…
5
Nexus: Rework nexus_core, nexus_noncore, and nexus_core_noncore documentation nexus python Pull requests that update python code
#6207 opened Sep 4, 2026 by brockdyer03 Contributor Loading…
7
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 Loading…
36
SOA spherical tensor VGH c/c++ cmake python Pull requests that update python code
#6181 opened Aug 30, 2026 by shivupa Contributor Loading…
6
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
Nexus: [Draft] Expanding dynamic workflows nexus python Pull requests that update python code
#6146 opened Aug 21, 2026 by kayahans Contributor • Draft
1
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
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