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pyscf
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A
examples\geomopt\12-mcscf_excited_states.py
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examples\pbc\25-k_points_mpi_ccsd.py
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examples\scf\10-glycine.py
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examples\pbc\27-multigrid.py
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examples\geomopt\14-with_solvent.py
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examples\pbc\29-eom_ccsd_Ta.py
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conda\meta.yaml
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examples\pbc\30-ao_value_on_grid.py
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examples\grad\01-scf_grad.py
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examples\pbc\30-overlap_periodic_cell.py
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.github\workflows\ci_macos\python_deps.sh
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examples\scf\15-initial_guess.py
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examples\scf\14-restart.py
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examples\qmmm\11-newton.py
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examples\pbc\47-pywannier90.py
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examples\pbc\46-k_point_eom_ccsd_rhf.py
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examples\pbc\35-range_separated_density_fit.py
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examples\ao2mo\01-outcore.py
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examples\fci\33-rotate_wfn.py
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examples\pbc\05-input_pp.py
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