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Pull requests: QMCPACK/qmcpack

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Pull requests list

PySCF LCAO to spline converter NumPy 2 compatiblity
#5364 opened Mar 6, 2025 by prckent Loading…
1
[WIP] LCAO Optimization per Center
#5357 opened Mar 5, 2025 by anbenali Loading…
27
[WIP] More templates for the classes derived from SPOSetT<T>
#5355 opened Mar 4, 2025 by ylee88 Loading…
Unpin numpy version in macos CI
#5345 opened Feb 26, 2025 by prckent Loading…
3
fix mixed precision kpoint sorting
#5327 opened Feb 19, 2025 by PDoakORNL Loading…
5
Structure Factor estimator at unit test stage
#5303 opened Feb 6, 2025 by PDoakORNL Loading…
4
Nexus: fix job option usage at user level
#5255 opened Dec 16, 2024 by jtkrogel Loading…
6
[WIP] Batched converter
#5231 opened Nov 15, 2024 by anbenali Loading…
2
dump walkers periodically for post-processing help wanted
#4940 opened Mar 13, 2024 by Paul-St-Young Loading…
@Paul-St-Young
14
[WIP] Add cusp correction based on atomic orbitals
#4901 opened Jan 16, 2024 by markdewing • Draft
nexus rmg updates
#4747 opened Sep 26, 2023 by kgasperich Loading…
3 tasks done
@kgasperich @anbenali
9
[WIP] Soa spherical tensor
#4714 opened Aug 25, 2023 by anbenali Loading…
6
Make SPOSet a class template
#4685 opened Jul 24, 2023 by ye-luo Loading…
8
Implement SPOSetT<T> template class hierarchy
#4684 opened Jul 24, 2023 by williamfgc Loading…
39
Don't allow batched version to accept hamiltonian estimator input
#4643 opened Jun 22, 2023 by PDoakORNL Loading…
22
[WIP] Remove Observable Helper
#4540 opened Apr 4, 2023 by PDoakORNL • Draft
4
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
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