master
pyscf
Repository badge with A rating
View on GitHub
Grade
Name
Complexity
Churn
Issues
A
examples\ao2mo\11-ump2.py
1 1 -
A
pyscf\pbc\scf\uhf.py
44 9 -
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
pyscf\ci\test\test_ucisd.py
7 2 -
A
pyscf\pbc\gto\pseudo\split_GTH_POTENTIALS.py
14 2 -
A
pyscf\pbc\tdscf\__init__.py
25 5 -
A
examples\pbc\23-smearing.py
 2 -
A
pyscf\dft\gen_libxc_param.py
 2 -
A
pyscf\pbc\tdscf\krhf_slow.py
25 2 -
A
examples\geomopt\12-mcscf_excited_states.py
 2 -
A
pyscf\pbc\gto\pseudo\test\test_pp.py
23 2 -
A
pyscf\pbc\gto\test\test_cell.py
23 6 -
A
pyscf\pbc\gto\test\test_pbcintor.py
 1 -
A
examples\nmr\crco6-nr-msc.py
 1 -
A
pyscf\data\__init__.py
 1 -
A
pyscf\pbc\gto\test\test_rcut.py
3 1 -
A
pyscf\pbc\gw\__init__.py
 1 -
A
pyscf\data\elements.py
43 11 -