master
pyscf
Repository badge with A rating
View on GitHub
Grade
Name
Complexity
Churn
Issues
A
examples\cc\21-dfccsd.py
 2 -
A
examples\cc\22-fnoccsd.py
 2 -
A
examples\cc\31-remove_linear_dep.py
 1 -
A
examples\cc\32-restart.py
 1 -
A
examples\cc\40-ccsd_custom_hamiltonian.py
 1 -
A
examples\cc\41-ccsd_custom_hamiltonian_noscf.py
1 1 -
A
examples\cc\42-as_casci_fcisolver.py
6 4 -
A
examples\cc\43-ccd.py
1 1 -
A
examples\ci\00-simple_cisd.py
 2 -
A
examples\ci\01-density_matrix.py
 2 -
A
examples\ci\20-from_fci.py
 1 -
A
examples\ci\32-wfn_overlap.py
 1 -
A
examples\df\00-with_df.py
 1 -
A
examples\df\01-auxbasis.py
 1 -
A
examples\df\10-access_df_integrals.py
 4 -
A
examples\df\11-access_df_tensor.py
 1 -
A
examples\df\11-get_j_io_free.py
 2 -
A
examples\df\40-precompute_df_integrals.py
 1 -
A
examples\df\41-df_integrals_gradients.py
 2 -
A
examples\df\42-overwrite_get_jk.py
2 1 -