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qmcpack/tests/molecules/LiH_ae_pyscf
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Paul Kent 07068474e5 Increase tolerances on short-LiH_ae_pyscf tests 2025-03-30 10:22:00 -04:00
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pyscf Fixing tests for HDF5, molecular tests and convert4qmc for UHF/UKS 2020-08-26 17:12:41 -05:00
qmc-ref Fixing tests for HDF5, molecular tests and convert4qmc for UHF/UKS 2020-08-26 17:12:41 -05:00
CMakeLists.txt Increase tolerances on short-LiH_ae_pyscf tests 2025-03-30 10:22:00 -04:00
LiH-pyscf.h5 Fixing tests for HDF5, molecular tests and convert4qmc for UHF/UKS 2020-08-26 17:12:41 -05:00
LiH.structure.xml Fixing tests for HDF5, molecular tests and convert4qmc for UHF/UKS 2020-08-26 17:12:41 -05:00
LiH.wfnoj.xml Remove parameters in determinant and clean up 2023-09-15 09:18:26 -05:00
vmc_long_noj.in.xml Set driver_version in inputs 2025-01-08 13:53:45 -05:00
vmc_short_noj.in.xml Set driver_version in inputs 2025-01-08 13:53:45 -05:00