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pyscf
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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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examples\mp\42-omp2.py
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examples\fci\30-h6_scan.py
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examples\mpi\00-pbc_df.py
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examples\mrpt\02-cr2_nevpt2\cr2-scan.py
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examples\pbc\06-input_ke_cutoff.py
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examples\geomopt\01-geomeTRIC.py
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examples\pbc\09-init_from_ase.py
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examples\ao2mo\04-dirac_hf_mo_integrals.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\mrpt\41-for_state_average.py
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examples\nmr\crco6-nr-msc.py
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examples\fci\32-wfn_overlap.py
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examples\pbc\00-input_cell.py
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examples\pbc\04-input_basis.py
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examples\geomopt\02-as_pyscf_method.py
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.codecov.yml
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