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Issues: QMCPACK/qmcpack

Welcome & Getting Started 2025
#5263 opened Jan 2, 2025 by prckent
Open
Roadmap 2025
#5264 opened Jan 2, 2025 by prckent
Open
QMCPACK Office Hours Thursday 27 February 2025
#5289 opened Jan 23, 2025 by prckent
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418 Open 1,035 Closed
418 Open 1,035 Closed
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Issues list

KSpace jastrows need more implementation
#5348 opened Feb 28, 2025 by camelto2
2
Anomalous streaks in VMC density bug
#5334 opened Feb 21, 2025 by jtkrogel
8
KLists kpoint sorting inconsistent across compiler in mixed precision bug
#5312 opened Feb 12, 2025 by PDoakORNL
@PDoakORNL
3
create_names for timers violates DRY and has scoping issues.
#5309 opened Feb 10, 2025 by PDoakORNL
1
QMCPACK antipattern: Throw runtime error if override isn't implemented.
#5308 opened Feb 10, 2025 by PDoakORNL
2
Reduce the state machine in parameter derivative routines needed
#5292 opened Jan 29, 2025 by ye-luo
11
Calculation of forces/ error minimisation
#5290 opened Jan 27, 2025 by saitovilnur
1
QMCPACK Office Hours Thursday 27 February 2025
#5289 opened Jan 23, 2025 by prckent
Segmentation error in Polaris for SOC-QMC calculations
#5283 opened Jan 15, 2025 by kayahans
11
BUILD_AFQMC_HIP option not working bug
#5268 opened Jan 7, 2025 by ye-luo
Roadmap 2025
#5264 opened Jan 2, 2025 by prckent
Welcome & Getting Started 2025
#5263 opened Jan 2, 2025 by prckent
Build fails with clang-18: non-constant-expression cannot be narrowed from type 'buffer::size_type' (aka 'long') to 'std::size_t' bug
#5254 opened Dec 15, 2024 by yurivict
3
One-body density matrix test failures in batched real code but not complex bug
#5252 opened Dec 11, 2024 by prckent
Energy density t-moves related crash in DMC bug
#5245 opened Nov 27, 2024 by prckent
6
Better restart capability for interrupted runs discussion enhancement
#5232 opened Nov 15, 2024 by camelto2
4
Integrated energy density is not equal to the total energy batched_bug
#5224 opened Nov 12, 2024 by aannabe
5
Can we simplify SpaceGrid input?
#5222 opened Nov 11, 2024 by ye-luo
6
VGHGH Not implemented in SoaSphericalTensor
#5205 opened Oct 18, 2024 by anbenali
6
Incorrect norm in spin density for finite sampled regions
#5201 opened Oct 15, 2024 by aannabe
@PDoakORNL
2
Jastrow radial-cutoff default values in Nexus discussion
#5188 opened Sep 25, 2024 by aannabe
5
NaN in short-LiH_ae-vmc_msdj-1-16 bug
#5181 opened Sep 23, 2024 by prckent
Automate J2 cusp value in case of spin-orbit enhancement
#5180 opened Sep 23, 2024 by ye-luo
2
Incorrect spline evaluation index assert error in diamond 1x1x1 (or related bug) bug
#5174 opened Sep 20, 2024 by prckent
2
Suspicious QP short test failures with anomalously large errors
#5172 opened Sep 19, 2024 by prckent
4
ProTip! Find all open issues with in progress development work with linked:pr.