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Pull requests: QMCPACK/qmcpack

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Pull requests list

Nexus: Implementation of GCTA with (spin)-adapted Fermi levels nexus
#5029 opened Jun 4, 2024 by aannabe Loading…
6
Driver-portable walker logging
#5019 opened May 31, 2024 by jtkrogel Loading…
10 tasks done
30
[WIP] Simple implementation of Stochastic Reconfiguration
#5017 opened May 31, 2024 by camelto2 Loading…
1
Useful walker ids
#5010 opened May 28, 2024 by PDoakORNL Loading…
34
Add Mixed Precision Coverage Runs in GitHub Actions
#4979 opened May 9, 2024 by prckent Loading…
3
dump walkers periodically for post-processing help wanted
#4940 opened Mar 13, 2024 by Paul-St-Young Loading…
@Paul-St-Young
10
[WIP] Add cusp correction based on atomic orbitals
#4901 opened Jan 16, 2024 by markdewing • Draft
[WIP] nexus rmg updates
#4747 opened Sep 26, 2023 by kgasperich Loading…
3 tasks done
@kgasperich @anbenali
5
[WIP] Soa spherical tensor
#4714 opened Aug 25, 2023 by anbenali Loading…
6
Add doxygen target using cmake-generated doxyfile
#4700 opened Aug 16, 2023 by PhilipFackler Loading…
16
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
Nexus: added capability to run self-consistent DFT+U+V in QE > 7.1
#4528 opened Mar 23, 2023 by kayahans Loading…
3
[WIP] convert h5 orbs from spherical to Cartesian
#4364 opened Dec 14, 2022 by kgasperich • Draft
4
Deterministic simple harmonic oscillator (SHO) tests
#4108 opened Jul 11, 2022 by prckent Loading…
1
Build script and Nexus support for CSCS Piz Daint
#4068 opened Jun 20, 2022 by zenandrea Loading…
11
[Preview] Add QMC_GPU=no/NVIDIA/AMD/INTEL
#3930 opened Apr 6, 2022 by ye-luo • Draft
12
[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:>2024-06-05.