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pyscf
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Complexity
Churn
Issues
A
pyscf\dft\uks_symm.py
3 7 -
A
pyscf\grad\test\test_tduhf_grad.py
3 2 -
A
examples\mcscf\33-make_init_guess\18-dmet_cas_for_feporph.py
3 1 -
A
pyscf\cc\gccsd_t_slow.py
3 5 -
A
pyscf\df\test\test_df_grad.py
3 1 -
A
pyscf\cc\test\test_2e.py
3 1 -
A
pyscf\cc\test\test_ccsd_lambda.py
3 2 -
A
pyscf\hessian\test\test_thermo.py
3 1 -
A
pyscf\fci\test\test_symm_init_guess.py
3 3 -
A
pyscf\cc\test\test_uccsd_lambda.py
3 3 -
A
pyscf\cc\test\test_uccsd_t.py
3 2 -
A
pyscf\dft\gks_symm.py
3 4 -
A
pyscf\df\test\test_df_hessian.py
3 1 -
A
pyscf\geomopt\test\test_berny_solver.py
3 3 -
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pyscf\cc\uccsd_t_slow.py
3 3 -
A
examples\mp\42-omp2.py
3 1 -
A
pyscf\ci\addons.py
3 2 -
A
examples\1-advanced\018-dmrg_casscf_for_feporph.py
3 1 -
A
pyscf\geomopt\test\test_geometric_solver.py
3 3 -
A
pyscf\pbc\grad\test\test_kuks.py
4 1 -