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A
examples\geomopt\01-geomeTRIC.py
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examples\ao2mo\04-dirac_hf_mo_integrals.py
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examples\geomopt\02-as_pyscf_method.py
1 4 -
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examples\1-advanced\030-transition_dipole.py
1 2 -
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examples\geomopt\11-with_ghost_atom.py
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examples\ao2mo\11-ump2.py
1 1 -
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examples\geomopt\12-mcscf_excited_states.py
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conda\conda_build_config.yaml
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examples\geomopt\14-with_solvent.py
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examples\ao2mo\21-spin_orbit_coupling.py
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examples\grad\01-scf_grad.py
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examples\1-advanced\031-density.py
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examples\1-advanced\002-input_script.py
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examples\agf2\10-dyson_orbitals.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\ao2mo\00-mo_integrals.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\cc\00-simple_ccsd.py
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