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qmcpack/tests/converter/test_LiH_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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LiH.h5 Fixing tests for HDF5, molecular tests and convert4qmc for UHF/UKS 2020-08-26 17:12:41 -05:00
LiH.py Require Python3 2020-01-08 12:52:22 -05:00
LiH.pyscf.out Fixing tests for HDF5, molecular tests and convert4qmc for UHF/UKS 2020-08-26 17:12:41 -05:00
cmd_args.txt Tests for converter and Molecular systems with Quantum Package AND PYSCF 2018-01-11 21:44:59 -06:00
gold.qmc.in-wfnoj.xml Tests for converter and Molecular systems with Quantum Package AND PYSCF 2018-01-11 21:44:59 -06:00
gold.structure.xml Tests for converter and Molecular systems with Quantum Package AND PYSCF 2018-01-11 21:44:59 -06:00
gold.wfnoj.xml Tests for converter and Molecular systems with Quantum Package AND PYSCF 2018-01-11 21:44:59 -06:00
orbitals Fixing tests for HDF5, molecular tests and convert4qmc for UHF/UKS 2020-08-26 17:12:41 -05:00