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examples\scf\41-hf_with_given_densityfit_ints.py
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pyscf\gto\eval_gto.py
15 5 -
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pyscf\cc\ccsd_t_lambda_slow.py
5 5 -
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.github\workflows\run_ci.sh
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docker\conda-env\build-conda.sh
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examples\agf2\04-restart.py
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examples\dft\32-xcfun_as_default.py
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examples\mcscf\33-make_init_guess\18-dmet_cas_for_feporph.py
3 1 -
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pyscf\cc\ccsd_t_rdm_slow.py
11 5 -
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examples\scf\43-custom_get_jk.py
2 1 -
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pyscf\gto\pp_int.py
2 2 -
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examples\gto\24-ao_value_on_grid.py
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pyscf\gto\test\test_ecp.py
27 8 -
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examples\scf\50-mom-deltaSCF.py
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pyscf\gto\test\test_ft_ao.py
25 3 -
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examples\cc\32-restart.py
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pyscf\cc\ccsd_t_slow.py
11 5 -
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examples\mcscf\34-init_guess_localization.py
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pyscf\cc\dfccsd.py
16 8 -
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pyscf\cc\eom_gccsd.py
81 8 -