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pyscf
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.github\workflows\ci_linux\python_deps.sh
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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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examples\dft\24-define_xc_functional.py
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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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.github\workflows\release_tag.yml
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examples\dft\31-xc_value_on_grid.py
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examples\dft\30-ao_value_on_grid.py
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examples\dft\13-rsh_dft.py
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.codecov.yml
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conda\build.sh
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examples\1-advanced\018-dmrg_casscf_for_feporph.py
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examples\ao2mo\01-outcore.py
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