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pyscf
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examples\gto\24-ao_value_on_grid.py
 1 1
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examples\cc\32-restart.py
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examples\gto\30-read_molpro_orb.py
 2 2
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examples\2-benchmark\fci_iteration.py
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examples\gw\00-simple_gw.py
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doc_legacy\source\nao\examples\script_pyscf_ase.py
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examples\gw\02-gw_exact.py
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examples\local_orb\10-modify_valence_space_for_meta_lowdin.py
 1 2
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examples\gw\31-pbc_slow.py
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examples\2-benchmark\n2.py
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examples\hessian\10-thermochemistry.py
 1 1
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doc_legacy\source\nao\examples\script_raman_pyscf.py
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examples\mcscf\12-c2_triplet_from_singlet_hf.py
 1 2
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examples\mcscf\11-casscf_with_uhf_uks.py
 1 2
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examples\local_orb\06-vvo_livvo_water_cubegen.py
 1 1
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.github\workflows\ci_linux\build_pyscf.sh
 7 1
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.github\workflows\ci_macos\deps_apt.sh
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conda\build.sh
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examples\ao2mo\01-outcore.py
 1 2
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examples\fci\33-rotate_wfn.py
 2 1