master
pyscf
Repository badge with A rating
View on GitHub
Grade
Name
Complexity
Churn
Issues
A
examples\mcscf\14-project_init_guess.py
 3 -
A
pyscf\agf2\dfuagf2.py
23 3 -
A
examples\dft\02-gks.py
 2 -
A
pyscf\agf2\ragf2.py
138 4 -
A
examples\mcscf\15-state_specific.py
 1 -
A
pyscf\agf2\test\test_c_agf2.py
6 1 -
A
.github\workflows\release_tag.yml
 2 -
A
pyscf\agf2\test\test_dfuagf2_beh.py
7 1 -
A
examples\mcscf\16-density_fitting.py
 1 -
A
pyscf\agf2\test\test_ragf2_slow_h2o.py
7 1 -
A
examples\dft\12-camb3lyp.py
 2 -
A
examples\ao2mo\00-mo_integrals.py
 2 -
A
examples\fci\31-apply_2nd_quantized_op.py
 1 -
A
examples\mrpt\41-for_state_average.py
 1 -
A
examples\nmr\crco6-nr-msc.py
 1 -
A
examples\fci\32-wfn_overlap.py
 2 -
A
examples\pbc\00-input_cell.py
 1 -
A
examples\pbc\04-input_basis.py
 1 -
A
examples\mcscf\18-o2_spatial_spin_symmetry.py
 1 -
A
.codecov.yml
 2 -