qmcpack/tests/molecules/FeCO6_b3lyp_pyscf
Paul Kent 10074dc323 Set driver_version in inputs 2025-01-08 13:53:45 -05:00
..
pyscf Fixing tests for HDF5, molecular tests and convert4qmc for UHF/UKS 2020-08-26 17:12:41 -05:00
qmc-ref FeCO6 and LiH_ae tests 2018-07-05 14:50:56 -05:00
C.BFD.xml Add pseudopotentials_for_tests and fix broken symlinks 2018-05-04 10:59:47 -04:00
CMakeLists.txt cmake-format tests 2023-02-07 16:16:20 -06:00
Fe.BFD.xml Add pseudopotentials_for_tests and fix broken symlinks 2018-05-04 10:59:47 -04:00
FeCO6.h5 Fixing tests for HDF5, molecular tests and convert4qmc for UHF/UKS 2020-08-26 17:12:41 -05:00
FeCO6.structure.xml New Converged Pyscf references for FeCO6 2018-06-26 14:08:17 -05:00
FeCO6.wfnoj.xml Remove parameters in determinant and clean up 2023-09-15 09:18:26 -05:00
O.BFD.xml Add pseudopotentials_for_tests and fix broken symlinks 2018-05-04 10:59:47 -04:00
det_vmc_noj.in.xml Set driver_version in inputs 2025-01-08 13:53:45 -05:00
det_vmcbatch_noj.in.xml Change the Hamiltonian element order to test reordering. 2023-01-09 17:07:58 -06:00
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