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pyscf
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A
examples\mcscf\34-init_guess_localization.py
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pyscf\cc\eom_gccsd.py
81 8 -
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examples\dft\33-nlc_functionals.py
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pyscf\cc\eom_uccsd.py
173 10 1
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examples\mcscf\41-mcscf_custom_df_hamiltonian.py
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pyscf\cc\gccsd_lambda.py
4 4 -
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examples\agf2\05-agf2_moments.py
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pyscf\cc\gccsd_t.py
6 4 -
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examples\mcscf\41-state_average_custom_fci.py
10 1 -
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pyscf\cc\gccsd_t_rdm.py
6 5 -
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examples\eph\01-finite_difference_eph.py
 1 -
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examples\ao2mo\00-mo_integrals.py
 2 -
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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\mcscf\43-PiOS-C8H10.py
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.codecov.yml
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