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Issues: QMCPACK/qmcpack

Welcome 2024
#4895 opened Jan 10, 2024 by prckent
Open
Tests wanted / List of untested functionality
#1061 opened Sep 11, 2018 by jtkrogel
Open 9
Batched drivers feature tracker
#3508 opened Oct 4, 2021 by ye-luo
Open 2
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412 Open 1,016 Closed
412 Open 1,016 Closed
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Issues list

Energy density related crash in DMC bug
#5245 opened Nov 27, 2024 by prckent
1
pw2qmcpack.x gives segmentation error for converting DFT+U+V wavefunctions
#5244 opened Nov 26, 2024 by kayahans
Better restart capability for interrupted runs discussion enhancement
#5232 opened Nov 15, 2024 by camelto2
4
Spin asymmetric results from a spin symmetric wavefunction bug
#5229 opened Nov 14, 2024 by jtkrogel
2
Integrated energy density is not equal to the total energy batched_bug
#5224 opened Nov 12, 2024 by aannabe
4
Can we simplify SpaceGrid input?
#5222 opened Nov 11, 2024 by ye-luo
5
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
Change default driver version to batched
#5149 opened Aug 27, 2024 by prckent v4.0.0 Release
(LLVM compiler bug) NV GPU Offload errors due to misaligned addresses bug
#5138 opened Aug 21, 2024 by prckent
5
Toxic Ctest behavior on multi gpu systems
#5130 opened Aug 16, 2024 by PDoakORNL
3
Add tests for TMDLA implementation
#5104 opened Jul 26, 2024 by prckent v4.0.0 Release
VMC/DMC Force Transition to Batched Code
#5093 opened Jul 18, 2024 by rcclay
2 tasks
Complete PySCF twist implementation
#5088 opened Jul 12, 2024 by prckent
@anbenali
Cusp correction only works if atoms of same type are consecutive bug nexus
#5082 opened Jul 9, 2024 by zenandrea v4.0.0 Release
9
Inaccurate MPC energies
#5081 opened Jul 8, 2024 by kayahans
3
Revisit Walker.h constructors
#5068 opened Jun 28, 2024 by ye-luo
Walker member Multiplicity should be an integer value
#5059 opened Jun 25, 2024 by PDoakORNL
2
Nexus: Numpy 2.0 incompatibility enhancement nexus
#5050 opened Jun 19, 2024 by prckent
1
Add gemv/ger incx, incy != 1 tests.
#5047 opened Jun 17, 2024 by ye-luo
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