Searched defs:wfn_file (Results 1 – 5 of 5) sorted by relevance
| /dports/science/qmcpack/qmcpack-3.11.0/utils/afqmctools/afqmctools/inputs/ |
| H A D | energy.py | 6 def calculate_hf_energy(hamil_file, wfn_file): argument
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| H A D | from_pyscf.py | 23 cas=None, qmc_input=None, wfn_file=None, argument
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| /dports/science/qmcpack/qmcpack-3.11.0/src/AFQMC/Utilities/ |
| H A D | test_utils.hpp | 129 inline std::string create_test_hdf(const std::string& wfn_file, const std::string& hamil_file) in create_test_hdf()
159 inline bool check_hamil_wfn_for_utest(const std::string& test_name, std::string& wfn_file, std::str… in check_hamil_wfn_for_utest()
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| /dports/science/qmcpack/qmcpack-3.11.0/utils/afqmctools/afqmctools/utils/ |
| H A D | qmcpack_utils.py | 4 def write_xml_input(qmc_in, hamil_file, wfn_file, id_name='qmc', series=0, argument
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| /dports/science/mpqc/mpqc-2.3.1/src/bin/mpqc/ |
| H A D | mpqc.cc | 578 char * wfn_file = keyval->pcharvalue("wfn_file"); in try_main() local
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