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examples\gto\03-ghost_atom.py
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examples\ao2mo\21-spin_orbit_coupling.py
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examples\1-advanced\031-density.py
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examples\df\01-auxbasis.py
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examples\gto\06-load_mol_from_chkfile.py
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examples\1-advanced\033-constrained_dft.py
50 1 -
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doc_legacy\source\conf.py
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examples\cc\10-ao_direct_ccsd.py
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.github\workflows\ci_linux\deps_apt.sh
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examples\2-benchmark\benchmarking_utils.py
6 1 -
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.github\workflows\lint.yml
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examples\cc\14-ccsd_diis.py
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examples\gto\21-concatenate_molecules.py
1 1 -
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examples\gto\24-ao_value_on_grid.py
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examples\gto\23-orbitals_cart2sph.py
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examples\fci\02-selected_ci.py
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examples\dft\24-define_xc_functional.py
1 1 -
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examples\df\42-overwrite_get_jk.py
2 1 -
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examples\cc\41-ccsd_custom_hamiltonian_noscf.py
1 1 -
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examples\ao2mo\01-outcore.py
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