master
pyscf
Repository badge with BPlus rating
View on GitHub
Grade
Name
Complexity
Churn
Issues
A
examples\agf2\01-simple_uagf2.py
 1 -
A
examples\pbc\33-soc_integrals.py
14 1 -
A
examples\mcscf\18-o2_spatial_spin_symmetry.py
 1 -
A
examples\pbc\34-pm_localization.py
 1 -
A
examples\pbc\30-ao_value_on_grid.py
 1 -
A
examples\pbc\30-overlap_periodic_cell.py
 1 -
A
examples\mcscf\21-active_space_symmetry.py
 2 -
A
examples\pbc\36-ccsd_level_shift.py
1 1 -
A
examples\agf2\03-photoemission_spectra.py
 1 -
A
examples\pbc\27-multigrid.py
 1 -
A
.github\workflows\run_ci.sh
 2 -
A
examples\pbc\28-charged_system.py
 1 -
A
pyscf\agf2\test\test_ragf2_h2o.py
11 2 -
A
pyscf\agf2\test\test_dfuagf2_beh.py
7 1 -
A
examples\scf\05-breit_gaunt.py
 1 -
A
examples\pbc\22-k_points_ccsd.py
 2 -
A
examples\pbc\04-input_basis.py
 1 -
A
examples\mp\11-dfmp2-density.py
 1 -
A
examples\agf2\04-restart.py
 1 -
A
.github\workflows\ci_macos\deps_apt.sh
 2 -