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examples\gto\04-input_basis.py
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examples\agf2\03-photoemission_spectra.py
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docker\conda-env\build-conda.sh
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examples\agf2\04-restart.py
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examples\gto\20-soc_ecp.py
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examples\dft\33-nlc_functionals.py
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examples\agf2\05-agf2_moments.py
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examples\eph\01-finite_difference_eph.py
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examples\grad\05-ccsd_grad.py
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.github\workflows\run_tests.sh
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examples\grad\01-scf_grad.py
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examples\agf2\08-frozen_core.py
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examples\grad\06-tddft_gradients.py
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examples\mcscf\50-cornell_shci_casscf.py
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examples\mcscf\50-casscf_with_selected_ci.py
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examples\gto\22-range_separated_coulomb.py
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examples\gto\00-input_mole.py
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examples\geomopt\20-callback.py
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examples\agf2\09-mpi_dfragf2.py
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.github\workflows\ci_macos\deps_apt.sh
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