master
pyscf
Repository badge with A rating
View on GitHub
Grade
Name
Complexity
Churn
Issues
A
examples\1-advanced\018-dmrg_casscf_for_feporph.py
3 1 -
A
examples\mp\10-dfmp2.py
 1 -
A
examples\ao2mo\10-diff_orbs_for_ijkl.py
 1 -
A
examples\mp\11-dfmp2-density.py
 1 -
A
examples\geomopt\11-with_ghost_atom.py
 1 -
A
examples\misc\02-chkfile.py
 1 -
A
.github\workflows\ci_linux\deps_apt.sh
 1 -
A
examples\mp\12-dfump2-natorbs.py
 1 -
A
examples\geomopt\14-with_solvent.py
 1 -
A
examples\mcscf\51-o2_triplet_by_various_fci.py
 1 -
A
examples\1-advanced\031-density.py
 1 -
A
examples\mcscf\60-uhf_based_ucasscf.py
 1 -
A
examples\nmr\crco6-nr-msc.py
 1 -
A
examples\mrpt\41-for_state_average.py
 1 -
A
examples\mcscf\23-local_spin.py
 1 -
A
examples\local_orb\40-hubbard_model_PM_localization.py
1 1 -
A
examples\local_orb\01-pop_with_meta_lowdin.py
 1 -
A
examples\gw\10-custom_screening.py
 1 -
A
examples\gto\06-load_mol_from_chkfile.py
 1 -
A
examples\ao2mo\01-outcore.py
 1 -