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pyscf
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Grade
Name
Complexity
Churn
Issues
A
pyscf\pbc\gto\pseudo\pp_int.py
44 3 -
A
pyscf\data\elements.py
43 11 -
A
pyscf\ao2mo\r_outcore.py
43 7 1
A
pyscf\lib\dft\nr_numint.c
42 8 -
A
pyscf\pbc\dft\gen_grid.py
42 5 -
A
pyscf\hessian\thermo.py
42 5 -
A
pyscf\lo\nao.py
42 5 -
A
pyscf\grad\uccsd.py
42 11 1
A
pyscf\gw\gw_slow.py
42 2 1
A
pyscf\mp\test\test_dfmp2_native.py
42 1 -
A
pyscf\gw\gw_cd.py
41 4 -
A
pyscf\cc\uccsd_t.py
41 5 2
A
pyscf\pbc\df\mdf.py
40 18 -
A
pyscf\ci\test\test_cisd.py
40 3 -
A
pyscf\solvent\test\test_ddcosmo.py
40 8 -
A
pyscf\pbc\tdscf\kuhf.py
39 3 -
A
pyscf\pbc\dft\krkspu.py
39 3 -
A
pyscf\symm\addons.py
39 7 -
A
pyscf\grad\rks.py
38 12 -
A
pyscf\df\addons.py
38 5 1