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pyscf
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A
examples\gto\00-input_mole.py
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examples\cc\10-ao_direct_ccsd.py
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examples\gto\02-dump_input.py
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examples\cc\20-ip_ea_eom_ccsd.py
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examples\gto\04-input_basis.py
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examples\cc\12-reuse_integrals.py
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examples\gto\06-load_mol_from_chkfile.py
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.github\workflows\ci_linux\deps_apt.sh
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examples\gto\09-apply_scf.py
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examples\cc\14-ccsd_diis.py
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examples\gto\11-basis_info.py
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examples\gw\31-pbc_slow.py
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examples\local_orb\01-pop_with_meta_lowdin.py
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examples\hessian\10-thermochemistry.py
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examples\cc\21-dfccsd.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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