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pyscf
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A
examples\mcscf\00-simple_casscf.py
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pyscf\adc\test\test_radc\test_H2O_radc_outcore.py
4 2 -
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examples\adc\04-open_shell_different_setup.py
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pyscf\adc\test\test_radc\test_N2_radc_ip.py
5 2 -
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examples\mcscf\02-cas_space_spin.py
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pyscf\adc\test\test_uadc\test_N2_uadc_ea.py
5 2 -
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examples\df\40-precompute_df_integrals.py
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pyscf\adc\test\test_uadc\test_OH_uadc_ea.py
5 2 -
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examples\mcscf\04-density_matrix.py
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pyscf\adc\test\test_uadc\test_OH_uadc_outcore.py
4 2 -
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doc_legacy\source\nao\examples\xyz2fdf.py
3 1 3
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examples\ao2mo\00-mo_integrals.py
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examples\fci\31-apply_2nd_quantized_op.py
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examples\mrpt\41-for_state_average.py
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examples\nmr\crco6-nr-msc.py
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examples\fci\32-wfn_overlap.py
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examples\pbc\00-input_cell.py
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examples\pbc\04-input_basis.py
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examples\mcscf\11-casscf_with_uhf_uks.py
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.codecov.yml
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