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.github\workflows\run_tests.sh
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examples\0-readme.py
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examples\agf2\08-frozen_core.py
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examples\fci\11-large_ci.py
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examples\mcscf\60-uhf_based_ucasscf.py
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examples\fci\12-multiple_roots.py
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examples\agf2\09-mpi_dfragf2.py
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examples\fci\13-wfn_symmetry.py
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examples\misc\02-chkfile.py
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examples\mp\00-simple_mp2.py
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examples\fci\14-density_matrix.py
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examples\mp\10-dfmp2.py
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examples\mp\11-dfmp2-density.py
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pyscf\pbc\grad\__init__.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\mp\12-dfump2-natorbs.py
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pyscf\pbc\gto\__init__.py
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examples\fci\30-h6_scan.py
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