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Issues: QMCPACK/qmcpack

Welcome & Getting Started 2025
#5263 opened Jan 2, 2025 by prckent
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Roadmap 2025
#5264 opened Jan 2, 2025 by prckent
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QMCPACK Office Hours Thursday 23 January 2025
#5282 opened Jan 15, 2025 by prckent
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Issues list

Better restart capability for interrupted runs discussion enhancement
#5232 opened Nov 15, 2024 by camelto2
4
Automate J2 cusp value in case of spin-orbit enhancement
#5180 opened Sep 23, 2024 by ye-luo
2
Discrepancy between elements in structure and in the hamiltonian section do not cause an abort enhancement
#4934 opened Feb 21, 2024 by anbenali
3
Multi-determinant support for PySCF wavefunctions enhancement
#4740 opened Sep 20, 2023 by huangxxxxxxxx
9
Add NiO a4(S1) and a16(S4) h5 files to test image enhancement
#4409 opened Jan 23, 2023 by prckent
@williamfgc
Intel OneAPI compiler needed in sulfur CI enhancement
#4326 opened Nov 14, 2022 by prckent
@williamfgc
Add offload build support in Spack enhancement
#4323 opened Nov 10, 2022 by ye-luo
4
Out of bounds last argument to assign_vgl, assign_vgh, assign_vghgh silently fixed. enhancement invalid to do
#4290 opened Oct 24, 2022 by PDoakORNL
4
Batched driver estimator input is illegible duplicate enhancement
#4252 opened Sep 22, 2022 by jtkrogel
4
Support min/max in memory report enhancement
#4150 opened Aug 3, 2022 by ye-luo
Support new QE7.1 keywords and DFT+U specification in Nexus enhancement nexus
#4100 opened Jul 6, 2022 by prckent
@jtkrogel
Unify compile-time complex and real builds as run-time options in a single build discussion enhancement good first issue Good for newcomers
#4099 opened Jul 6, 2022 by williamfgc
1 of 5 tasks
@williamfgc
4
Treatment of random number seeds in ensemble/batched runs bug discussion enhancement
#4095 opened Jul 5, 2022 by prckent
6
The most visible input classes should model best practices enhancement
#4079 opened Jun 24, 2022 by PDoakORNL
@PDoakORNL
Estimators Requiring Per Particle values from Hamiltonian Operators ECP enhancement in progress
#4029 opened May 25, 2022 by PDoakORNL
@PDoakORNL
SPOSet API cannot allow modification of underlying SplineInst discussion enhancement
#3980 opened Apr 26, 2022 by PDoakORNL
3
Some CI maintenance ci All things Continuous Integration enhancement GitHub Actions All things GitHub Actions
#3963 opened Apr 20, 2022 by williamfgc
4 tasks done
@williamfgc
Use ctest RESOURCE_GROUPS and not RESOURCE_LOCK to control GPU access enhancement testing
#3879 opened Feb 25, 2022 by prckent
2
Explore GitHub options to automatically update develop onto approved automerge and tested PR branch enhancement help wanted
#3862 opened Feb 21, 2022 by williamfgc
@williamfgc @walshmm
3
Nexus should use twist by default instead of twistnum enhancement nexus
#3795 opened Feb 1, 2022 by jtkrogel
@jtkrogel
Output pariticle info for visualization enhancement
#3761 opened Jan 25, 2022 by ye-luo
SpinDensityEstimator needs to be upgraded to support open boundary conditions enhancement good first issue Good for newcomers observables
#3749 opened Jan 21, 2022 by prckent
Migrate qmc_run_and_check to more generic qmc_run_and_check_custom_scalar cmake enhancement testing
#3663 opened Dec 13, 2021 by ye-luo
@markdewing
3
Convert4qmc should abort when h5 file and -hdf5 flag are both provided enhancement
#3521 opened Oct 11, 2021 by jtkrogel
@anbenali
cuBLAS wrapper unit tests in cuBLAS_LU should be moved to Platform/CUDA enhancement refactor
#3484 opened Sep 27, 2021 by PDoakORNL
@PDoakORNL
1
ProTip! What’s not been updated in a month: updated:<2024-12-15.