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pyscf
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A
examples\dft\00-simple_dft.py
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examples\2-benchmark\n2.py
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doc_legacy\source\nao\examples\script_raman_pyscf.py
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examples\ci\01-density_matrix.py
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.github\workflows\release_info.sh
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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\33-nlc_functionals.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\eph\01-finite_difference_eph.py
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examples\eph\00-simple_eph.py
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examples\dft\12-camb3lyp.py
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.github\workflows\ci_linux\build_pyscf.sh
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.github\workflows\ci_macos\deps_apt.sh
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conda\build.sh
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examples\ao2mo\01-outcore.py
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