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pyscf
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examples\adc\02-open_shell.py
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examples\ao2mo\10-diff_orbs_for_ijkl.py
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examples\adc\04-open_shell_different_setup.py
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.github\workflows\release_tag.yml
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examples\adc\06-dfadc.py
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.github\workflows\ci_macos\build_pyscf.sh
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examples\agf2\01-simple_uagf2.py
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docker\conda-env\Dockerfile
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examples\agf2\03-photoemission_spectra.py
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examples\agf2\10-dyson_orbitals.py
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examples\agf2\05-agf2_moments.py
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docker\pypa-env\build-wheels.sh
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examples\agf2\07-scs_agf2.py
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.github\workflows\run_tests.sh
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examples\ao2mo\21-spin_orbit_coupling.py
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examples\ao2mo\20-eri_grad_hess.py
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examples\ao2mo\00-mo_integrals.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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