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pyscf
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examples\mcscf\00-simple_casscf.py
 3 -
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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\mcscf\11-casscf_with_uhf_uks.py
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.codecov.yml
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.github\workflows\ci_linux\build_pyscf.sh
 7 1
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.github\workflows\ci_macos\deps_apt.sh
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conda\build.sh
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examples\1-advanced\018-dmrg_casscf_for_feporph.py
3 1 -
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examples\ao2mo\01-outcore.py
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examples\fci\33-rotate_wfn.py
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examples\pbc\05-input_pp.py
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