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pyscf
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Grade
Name
Complexity
Churn
Issues
A
pyscf\scf\chkfile.py
6 2 -
A
pyscf\scf\atom_hf.py
30 11 -
A
pyscf\scf\addons.py
97 9 1
A
pyscf\scf\_vhf.py
126 10 2
A
pyscf\scf\_response_functions.py
35 4 -
A
pyscf\scf\__init__.py
36 10 -
A
pyscf\qmmm\test\test_itrf.py
5 3 -
A
pyscf\qmmm\mm_mole.py
11 1 -
A
pyscf\qmmm\itrf.py
12 14 -
A
pyscf\qmmm\__init__.py
 2 -
A
pyscf\post_scf.py
 3 -
A
pyscf\pbc\x2c\test\test_x2c.py
5 3 -
A
pyscf\pbc\x2c\sfx2c1e.py
37 4 -
A
pyscf\pbc\x2c\__init__.py
 1 -
A
pyscf\pbc\tools\tril.py
11 3 -
A
pyscf\pbc\tools\test\test_pbc.py
10 3 -
A
pyscf\pbc\tools\test\test_k2gamma.py
9 2 -
A
pyscf\pbc\tools\pywannier90.py
219 7 2
A
pyscf\pbc\tools\pyscf_ase.py
10 3 -
A
pyscf\pbc\tools\pbc.py
98 5 1