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pyscf
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A
examples\local_orb\02-pop_with_iao.py
 5 -
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examples\local_orb\03-split_localization.py
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examples\local_orb\04-ibo_benzene_cubegen.py
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examples\local_orb\05-ibo_periodic_diamond_cubegen.py
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examples\local_orb\06-vvo_livvo_water_cubegen.py
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examples\local_orb\07-pipek_mezey.py
2 1 -
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examples\local_orb\08-cholesky.py
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examples\local_orb\10-modify_valence_space_for_meta_lowdin.py
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examples\local_orb\40-hubbard_model_PM_localization.py
1 1 -
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examples\local_orb\nlocal.py
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examples\local_orb\pmloc.py
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examples\local_orb\ulocal.py
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examples\mcscf\00-simple_casci.py
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examples\mcscf\00-simple_casscf.py
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examples\mcscf\01-for_expensive_fci.py
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examples\mcscf\02-cas_space_spin.py
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examples\mcscf\03-natural_orbital.py
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examples\mcscf\04-density_matrix.py
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examples\mcscf\10-define_cas_space.py
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examples\mcscf\11-casscf_with_uhf_uks.py
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