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qmcpack/tests/molecules/O_ae_pyscf_UHF/qmc-ref
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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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qmc-ref.in.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
qmc-ref.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
qmc-ref.s000.scalar.dat 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.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
vmc_long_noj.s000.scalar.dat 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_short_noj.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
vmc_short_noj.s000.scalar.dat 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