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pyscf
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examples\grad\10-excited_state_cisd_grad.py
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examples\pbc\44-k_point_eom_ccsd_ghf.py
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examples\cc\01-density_matrix.py
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examples\pbc\47-pywannier90.py
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examples\grad\12-excited_state_casscf_grad.py
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examples\qmmm\01-dft.py
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examples\1-advanced\033-constrained_dft.py
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examples\qmmm\03-ccsd.py
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examples\gto\00-input_mole.py
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examples\qmmm\05-mp2.py
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examples\cc\10-ao_direct_ccsd.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\gto\02-dump_input.py
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.codecov.yml
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