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pyscf
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examples\fci\13-wfn_symmetry.py
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examples\fci\14-density_matrix.py
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examples\fci\15-FCI_hamiltonian.py
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examples\fci\30-h6_scan.py
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examples\fci\31-apply_2nd_quantized_op.py
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examples\fci\32-wfn_overlap.py
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examples\fci\33-rotate_wfn.py
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examples\geomopt\01-geomeTRIC.py
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examples\geomopt\01-pyberny.py
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examples\geomopt\02-as_pyscf_method.py
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examples\geomopt\10-with_qmmm.py
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examples\geomopt\11-with_ghost_atom.py
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examples\geomopt\12-excited_states.py
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examples\geomopt\12-mcscf_excited_states.py
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examples\geomopt\13-ccsd_t.py
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examples\geomopt\14-with_solvent.py
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examples\geomopt\20-callback.py
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examples\grad\01-scf_grad.py
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examples\grad\02-dft_grad.py
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examples\grad\03-mp2_grad.py
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