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qmcpack/tests/molecules/O_ae_pyscf_UHF/pyscf
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anbenali 3fa96e63f9 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
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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.out 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.py 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