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pyscf
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.github\workflows\publish.yml
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examples\cc\43-ccd.py
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examples\2-benchmark\n2.py
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examples\ci\01-density_matrix.py
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doc_legacy\source\nao\examples\script_raman_pyscf.py
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examples\ci\32-wfn_overlap.py
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examples\adc\02-open_shell.py
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examples\df\01-auxbasis.py
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.github\workflows\ci.yml
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examples\df\11-access_df_tensor.py
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examples\adc\04-open_shell_different_setup.py
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examples\df\40-precompute_df_integrals.py
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doc_legacy\source\nao\examples\xyz2fdf.py
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.github\workflows\run_tests.sh
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examples\0-readme.py
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examples\agf2\08-frozen_core.py
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examples\agf2\09-mpi_dfragf2.py
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examples\1-advanced\002-input_script.py
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examples\agf2\10-dyson_orbitals.py
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examples\ao2mo\00-mo_integrals.py
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