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qmcpack/nexus/examples/pyscf/H2O
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Paul Kent 4f642a32ce Nexus inputs legacy drivers 2025-01-13 12:13:52 -05:00
..
H2O.xyz nexus: add pyscf molecular examples 2019-04-17 16:34:53 -04:00
h2o_ae_hf.py nexus: all tests pass with python 3 2019-11-21 13:48:45 -05:00
h2o_pp_hf.py nexus: all tests pass with python 3 2019-11-21 13:48:45 -05:00
scf_template.py Nexus inputs legacy drivers 2025-01-13 12:13:52 -05:00