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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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393 Open 992 Closed
393 Open 992 Closed
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Issues list

deterministic-diamondC_1x1x1_pp-dmc-estimator-1rdm-4-4 hidden error
#4997 opened May 15, 2024 by ye-luo
@jtkrogel
7
Cleaning up tasks of MatrixDelayedUpdateCUDA
#4996 opened May 15, 2024 by ye-luo
2 tasks
Reduced basis not found in allowed number of iterations
#4975 opened May 7, 2024 by kayahans
2
mmap failure in tests/scripts/check_deriv.py
#4943 opened Mar 20, 2024 by ye-luo
2
NonLocal ECP NaN with Batched Code bug
#4941 opened Mar 15, 2024 by annette-lopez
12
Discrepancy between elements in structure and in the hamiltonian section do not cause an abort enhancement
#4934 opened Feb 21, 2024 by anbenali
3
Cray libsci fails on large problems
#4929 opened Feb 15, 2024 by jptowns
some deterministic tests fail
#4921 opened Feb 12, 2024 by correaa
MatrixDelayedUpdateCUDA needs mw_evalGradWithSpin enhancement gpu offload
#4920 opened Feb 9, 2024 by camelto2
Sudden jump in VMC and nan in DMC energies using Frontier
#4903 opened Jan 18, 2024 by kayahans
13
Welcome 2024
#4895 opened Jan 10, 2024 by prckent
Spline orbital optimization tracker
#4865 opened Dec 8, 2023 by camelto2
4 of 10 tasks
2
Unit test failure ReferencePoints
#4857 opened Dec 6, 2023 by ye-luo
@PDoakORNL
6
Offload splines not yet support orbital rotation
#4843 opened Nov 21, 2023 by ye-luo
aotraits code style improvement
#4840 opened Nov 20, 2023 by PDoakORNL
@PDoakORNL
1
Unit testing of splined Jastrows near cutoffs distances needed
#4830 opened Nov 10, 2023 by prckent
Enable complex CI coeff optimization
#4820 opened Nov 8, 2023 by camelto2
A wrong DMC calculation with multideterminants wavefunctions
#4766 opened Oct 11, 2023 by huangxxxxxxxx
Stronger deterministic fixed node+fixed phase tests needed testing
#4764 opened Oct 10, 2023 by prckent
HDF5 read failure in hdf_archive::read /format (QMCPack 3.17.1, cray-hdf)
#4744 opened Sep 26, 2023 by svandenhaute
8
Multi-determinant support for PySCF wavefunctions enhancement
#4740 opened Sep 20, 2023 by huangxxxxxxxx
9
checkMatrix return type refinement
#4739 opened Sep 19, 2023 by ye-luo
@PDoakORNL
2
OrbOpt parameters are not correctly reported if read from vp.h5 file bug
#4737 opened Sep 18, 2023 by jptowns
@markdewing
1
MPC causes segfault on Frontier bug
#4725 opened Sep 11, 2023 by jtkrogel
2
Prepend Docker Package with 'ci-'
#4723 opened Sep 8, 2023 by walshmm
@walshmm
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