master
pyscf
Repository badge with A rating
View on GitHub
Grade
Name
Complexity
Churn
Issues
A
pyscf\df\test\test_df_grad.py
3 1 -
A
examples\geomopt\11-with_ghost_atom.py
 1 -
A
pyscf\df\test\test_df_jk.py
18 3 -
A
examples\pbc\22-k_points_mp2.py
 2 -
A
pyscf\df\test\test_outcore.py
12 4 -
A
examples\ao2mo\11-ump2.py
1 1 -
A
pyscf\dft\dks.py
23 18 1
A
examples\pbc\23-smearing.py
 2 -
A
pyscf\dft\gen_libxc_param.py
 2 -
A
examples\geomopt\12-mcscf_excited_states.py
 2 -
A
examples\fci\32-wfn_overlap.py
 2 -
A
examples\pbc\00-input_cell.py
 1 -
A
pyscf\data\gyro.py
 2 -
A
pyscf\data\nist.py
 5 -
A
examples\pbc\04-input_basis.py
 1 -
A
pyscf\data\nucprop.py
7 1 -
A
pyscf\data\radii.py
 4 -
A
examples\pbc\25-k_points_mpi_ccsd.py
 2 -
A
.codecov.yml
 2 -
A
.github\workflows\ci_linux\build_pyscf.sh
 7 1