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qmcpack/tests/molecules/O_ae_pyscf_UHF
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Paul Kent 10074dc323 Set driver_version in inputs 2025-01-08 13:53:45 -05:00
..
pyscf added O-UHF-Triplet test case instead of LiH to stress the different occupations in different orbitals 2020-08-26 17:12:41 -05:00
qmc-ref added O-UHF-Triplet test case instead of LiH to stress the different occupations in different orbitals 2020-08-26 17:12:41 -05:00
CMakeLists.txt cmake-format tests 2023-02-07 16:16:20 -06:00
O-UHF-Triplet.h5 added O-UHF-Triplet test case instead of LiH to stress the different occupations in different orbitals 2020-08-26 17:12:41 -05:00
O-UHF-Triplet.structure.xml added O-UHF-Triplet test case instead of LiH to stress the different occupations in different orbitals 2020-08-26 17:12:41 -05:00
O-UHF-Triplet.wfnoj.xml Remove parameters in determinant and clean up 2023-09-15 09:18:26 -05:00
downdet.cuspInfo.xml added O-UHF-Triplet test case instead of LiH to stress the different occupations in different orbitals 2020-08-26 17:12:41 -05:00
updet.cuspInfo.xml added O-UHF-Triplet test case instead of LiH to stress the different occupations in different orbitals 2020-08-26 17:12:41 -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