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qmcpack/tests/molecules/FeCO6_b3lyp_pyscf/pyscf
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anbenali 21bc31995d Fixing tests for HDF5, molecular tests and convert4qmc for UHF/UKS 2020-08-26 17:12:41 -05:00
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FeCO6.out Fixing tests for HDF5, molecular tests and convert4qmc for UHF/UKS 2020-08-26 17:12:41 -05:00
FeCO6.py Require Python3 2020-01-08 12:52:22 -05:00