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pyscf
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A
examples\gto\20-soc_ecp.py
 5 -
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examples\scf\32-break_spin_symm.py
 1 -
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examples\cc\22-fnoccsd.py
 2 -
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examples\scf\40-apply_electric_field.py
2 1 -
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examples\gto\22-range_separated_coulomb.py
 1 -
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examples\scf\41-hf_with_given_densityfit_ints.py
 1 1
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doc_legacy\source\nao\examples\create_qmmd.sh
 1 3
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examples\scf\43-custom_get_jk.py
2 1 1
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examples\gto\24-ao_value_on_grid.py
 1 1
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examples\scf\50-mom-deltaSCF.py
 1 -
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examples\cc\32-restart.py
 1 -
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examples\gto\30-read_molpro_orb.py
 2 2
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.codecov.yml
 2 -
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.github\workflows\ci_linux\build_pyscf.sh
 7 1
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.github\workflows\ci_macos\deps_apt.sh
 2 -
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conda\build.sh
 3 -
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examples\1-advanced\018-dmrg_casscf_for_feporph.py
3 1 1
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examples\ao2mo\01-outcore.py
 1 2
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examples\fci\33-rotate_wfn.py
 2 1
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examples\pbc\05-input_pp.py
 1 1