master
pyscf
Repository badge with A rating
View on GitHub
Grade
Name
Complexity
Churn
Issues
A
pyscf\dft\roks.py
5 8 -
A
examples\pbc\29-eom_ccsd_Ta.py
 1 -
A
pyscf\dft\test\test_dks.py
3 2 -
A
examples\ao2mo\21-spin_orbit_coupling.py
 1 -
A
pyscf\dft\test\test_h2o.py
44 8 -
A
examples\pbc\30-ao_value_on_grid.py
 1 -
A
pyscf\dft\test\test_libxc.py
14 12 -
A
examples\grad\01-scf_grad.py
 2 -
A
pyscf\dft\test\test_r_numint.py
4 3 -
A
examples\pbc\30-overlap_periodic_cell.py
 1 -
A
pyscf\dft\uks.py
38 18 1
A
examples\1-advanced\031-density.py
 1 -
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\31-pbc_0D_as_mol.py
 2 -
A
.codecov.yml
 2 -
A
.github\workflows\ci_linux\build_pyscf.sh
 7 1
A
.github\workflows\ci_macos\deps_apt.sh
 2 -