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pyscf
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Complexity
Churn
Issues
A
examples\solvent\04-scf_with_pe.py
 2 -
A
pyscf\lib\ao2mo\nr_incore.c
4 1 -
A
examples\cc\43-ccd.py
1 1 -
A
pyscf\lib\ao2mo\r_ao2mo.c
117 2 -
A
examples\solvent\21-tddft_equilibrium_solvation.py
 1 -
A
pyscf\lib\ao2mo\restore_eri.c
19 2 -
A
examples\hessian\10-thermochemistry.py
 1 -
A
pyscf\lib\cc\ccsd_grad.c
11 3 -
A
examples\symm\30-guess_symmetry.py
 2 -
A
pyscf\cc\ccsd_t_slow.py
11 5 -
A
examples\mcscf\34-init_guess_localization.py
 1 -
A
pyscf\cc\dfccsd.py
16 8 -
A
pyscf\cc\eom_gccsd.py
81 8 -
A
examples\dft\33-nlc_functionals.py
 1 -
A
examples\mcscf\40-customizing_hamiltonian.py
 1 -
A
pyscf\cc\eom_rccsd.py
211 12 -
A
examples\mcscf\41-mcscf_custom_df_hamiltonian.py
 3 -
A
pyscf\cc\gccsd.py
88 17 -
A
pyscf\cc\gccsd_lambda.py
4 4 -
A
examples\agf2\05-agf2_moments.py
 1 -