master
pyscf
Repository badge with A rating
View on GitHub
Grade
Name
Complexity
Churn
Issues
A
examples\geomopt\01-geomeTRIC.py
 2 -
A
pyscf\pbc\mp\test\test_kpoint.py
12 6 -
A
pyscf\ci\gcisd.py
68 12 -
A
pyscf\pbc\gto\ecp.py
6 2 -
A
pyscf\pbc\mp\test\test_mask_uhf.py
32 2 -
A
examples\pbc\09-init_from_ase.py
 1 -
A
pyscf\df\grad\uhf.py
7 3 -
A
pyscf\pbc\mpicc\kintermediates_rhf.py
216 3 -
A
examples\ao2mo\04-dirac_hf_mo_integrals.py
 1 -
A
pyscf\pbc\gto\eval_gto.py
16 5 -
A
examples\mrpt\02-cr2_nevpt2\cr2-scan.py
2 1 -
A
pyscf\ci\test\test_cisd.py
40 3 -
A
pyscf\pbc\gto\pseudo\__init__.py
7 2 -
A
pyscf\ci\test\test_gcisd.py
13 1 -
A
pyscf\pbc\gto\pseudo\parse_cp2k.py
27 2 -
A
pyscf\pbc\gto\pseudo\pp_int.py
44 3 -
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 -