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pyscf
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Complexity
Churn
Issues
A
pyscf\pbc\eph\eph_fd.py
25 4 -
A
pyscf\pbc\geomopt\__init__.py
2 1 -
A
pyscf\pbc\geomopt\geometric_solver.py
21 3 1
A
pyscf\pbc\grad\__init__.py
 1 -
A
pyscf\pbc\grad\krhf.py
72 6 -
A
pyscf\pbc\grad\krks.py
23 4 -
A
pyscf\pbc\grad\kuhf.py
17 2 -
A
pyscf\pbc\grad\kuks.py
19 4 -
A
pyscf\pbc\grad\test\test_krhf.py
2 2 -
A
pyscf\pbc\grad\test\test_krks.py
4 1 -
A
pyscf\pbc\grad\test\test_kuhf.py
2 2 -
A
pyscf\pbc\grad\test\test_kuks.py
4 1 -
A
pyscf\pbc\gto\__init__.py
 2 -
A
pyscf\pbc\gto\_pbcintor.py
8 2 -
A
pyscf\pbc\gto\basis\__init__.py
10 3 -
A
pyscf\pbc\gto\basis\parse_cp2k.py
28 4 -
A
pyscf\pbc\gto\basis\split_BASIS_MOLOPT.py
11 2 -
A
pyscf\pbc\gto\basis\split_GTH_BASIS_SETS.py
10 2 -
A
pyscf\pbc\gto\basis\split_HFX_BASIS.py
11 2 -
A
pyscf\pbc\gto\cell.py
270 11 2