master
pyscf
Repository badge with A rating
View on GitHub
Grade
Name
Complexity
Churn
Issues
A
examples\mcscf\31-cr2_scan\cr2-scan.py
2 1 -
A
examples\mcscf\32-beh2_scan\BeH2-scan.py
2 1 -
A
examples\mcscf\33-make_init_guess\18-dmet_cas_for_feporph.py
3 1 -
A
examples\mcscf\34-init_guess_localization.py
 1 -
A
examples\mcscf\40-customizing_hamiltonian.py
 1 -
A
examples\mcscf\41-mcscf_custom_df_hamiltonian.py
 3 -
A
examples\mcscf\41-state_average.py
 2 -
A
examples\mcscf\41-state_average_custom_fci.py
10 1 -
A
examples\mcscf\42-compare_cas_space.py
 2 -
A
examples\mcscf\43-PiOS-C8H10.py
 2 -
A
examples\mcscf\43-avas.py
 2 -
A
examples\mcscf\43-dmet_cas.py
 1 -
A
examples\mcscf\44-mcscf_active_space_hamiltonian.py
 1 -
A
examples\mcscf\50-casscf_then_dmrgscf.py
 1 -
A
examples\mcscf\50-casscf_with_selected_ci.py
 1 -
A
examples\mcscf\50-cornell_shci_casscf.py
 1 -
A
examples\mcscf\50-dmrgscf_with_block.py
 1 -
A
examples\mcscf\51-o2_triplet_by_various_fci.py
 1 -
A
examples\mcscf\60-uhf_based_ucasscf.py
 1 -
A
examples\mcscf\61-rcas_vs_ucas\o2-scan.py
4 1 -