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pyscf
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Grade
Name
Complexity
Churn
Issues
A
pyscf\fci\test\test_uhf.py
10 2 -
A
pyscf\geomopt\__init__.py
3 3 -
A
pyscf\geomopt\addons.py
5 6 -
A
pyscf\geomopt\berny_solver.py
29 15 -
A
pyscf\geomopt\geometric_solver.py
23 14 1
A
pyscf\geomopt\test\test_addons.py
1 1 -
A
pyscf\geomopt\test\test_berny_solver.py
3 3 -
A
pyscf\geomopt\test\test_geometric_solver.py
3 3 -
A
pyscf\grad\__init__.py
 5 -
A
pyscf\grad\casci.py
32 13 -
A
pyscf\grad\casscf.py
18 10 -
A
pyscf\grad\ccsd.py
53 16 1
A
pyscf\grad\ccsd_slow.py
15 7 -
A
pyscf\grad\ccsd_t.py
6 4 -
A
pyscf\grad\cisd.py
23 14 -
A
pyscf\grad\dhf.py
33 9 -
A
pyscf\grad\lagrange.py
23 7 -
A
pyscf\grad\mp2.py
24 10 -
A
pyscf\grad\rhf.py
76 16 -
A
pyscf\grad\rks.py
38 12 -