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pyscf
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A
examples\local_orb\03-split_localization.py
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A
examples\tddft\21-matrix_A_B.py
2 1 -
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examples\tddft\22-density.py
1 3 -
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doc_legacy\source\nao\examples\script_raman_pyscf.py
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examples\adc\01-closed_shell.py
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examples\ci\20-from_fci.py
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examples\local_orb\04-ibo_benzene_cubegen.py
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examples\tddft\30-change_xc_grids.py
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examples\tddft\31-energy_transfer_coupling_matrix.py
14 3 -
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examples\local_orb\05-ibo_periodic_diamond_cubegen.py
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examples\tools\01-fcidump.py
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examples\tools\02-molden.py
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examples\ci\32-wfn_overlap.py
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examples\local_orb\06-vvo_livvo_water_cubegen.py
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examples\tools\03-print_mo_and_dm.py
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examples\tools\04-analyze_local_orbitals.py
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examples\local_orb\07-pipek_mezey.py
2 1 -
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examples\tools\05-cubegen.py
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examples\tools\06-chgcar.py
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examples\adc\02-open_shell.py
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