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pyscf
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A
examples\grad\04-cisd_grad.py
 2 -
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examples\grad\05-ccsd_grad.py
 2 -
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examples\grad\06-tddft_gradients.py
 2 -
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examples\grad\10-excited_state_cisd_grad.py
 2 1
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examples\grad\11-excited_state_casci_grad.py
 2 1
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examples\grad\12-excited_state_casscf_grad.py
 1 1
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examples\grad\16-scan_force.py
 2 1
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examples\gto\00-input_mole.py
 2 -
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examples\gto\01-input_geometry.py
 4 -
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examples\gto\02-dump_input.py
 1 2
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examples\gto\03-ghost_atom.py
 1 -
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examples\gto\04-input_basis.py
 3 -
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examples\gto\05-input_ecp.py
 4 1
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examples\gto\06-load_mol_from_chkfile.py
 1 1
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examples\gto\07-nucmod.py
 3 -
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examples\gto\09-apply_scf.py
 2 1
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examples\gto\10-atom_info.py
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examples\gto\11-basis_info.py
 2 -
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examples\gto\12-serialization.py
 2 1
A
examples\gto\13-symmetry.py
 3 1