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pyscf
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A
examples\cc\00-simple_ccsd_t.py
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examples\grad\06-tddft_gradients.py
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examples\grad\10-excited_state_cisd_grad.py
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examples\cc\01-density_matrix.py
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examples\grad\11-excited_state_casci_grad.py
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examples\grad\12-excited_state_casscf_grad.py
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examples\1-advanced\033-constrained_dft.py
50 1 -
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examples\cc\01-lambda.py
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examples\grad\16-scan_force.py
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examples\gto\00-input_mole.py
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examples\cc\10-ao_direct_ccsd.py
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examples\gto\01-input_geometry.py
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doc_legacy\source\conf.py
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examples\gto\02-dump_input.py
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examples\cc\11-frozen_core.py
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examples\gto\03-ghost_atom.py
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examples\gto\04-input_basis.py
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examples\cc\12-reuse_integrals.py
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examples\gto\05-input_ecp.py
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examples\gto\06-load_mol_from_chkfile.py
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