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pyscf
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A
examples\fci\32-wfn_overlap.py
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examples\ao2mo\04-dirac_hf_mo_integrals.py
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examples\ao2mo\10-diff_orbs_for_ijkl.py
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examples\gto\03-ghost_atom.py
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examples\geomopt\11-with_ghost_atom.py
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conda\conda_build_config.yaml
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examples\geomopt\12-mcscf_excited_states.py
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examples\gto\04-input_basis.py
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examples\geomopt\14-with_solvent.py
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conda\meta.yaml
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examples\grad\01-scf_grad.py
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.github\workflows\ci_macos\python_deps.sh
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examples\gto\10-atom_info.py
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examples\gto\09-apply_scf.py
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examples\grad\11-excited_state_casci_grad.py
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.github\workflows\ci_linux\build_pyscf.sh
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.github\workflows\ci_macos\deps_apt.sh
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conda\build.sh
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examples\ao2mo\01-outcore.py
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examples\fci\33-rotate_wfn.py
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