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examples\gto\20-soc_ecp.py
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examples\scf\32-break_spin_symm.py
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examples\gto\30-read_molpro_orb.py
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examples\gto\22-range_separated_coulomb.py
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examples\2-benchmark\ccsd_iteration.py
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examples\scf\41-hf_with_given_densityfit_ints.py
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examples\x2c\03-x2c_ghf.py
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examples\gto\24-ao_value_on_grid.py
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examples\cc\32-restart.py
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examples\scf\50-mom-deltaSCF.py
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.github\workflows\publish.yml
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pyscf\grad\roks.py
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pyscf\grad\__init__.py
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examples\tools\05-cubegen.py
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examples\solvent\21-tddft_geomopt.py
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examples\solvent\20-state_specific_casci.py
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examples\solvent\01-casscf_with_ddcosmo.py
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examples\ao2mo\01-outcore.py
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examples\fci\33-rotate_wfn.py
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examples\pbc\05-input_pp.py
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