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pyscf
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Name
Complexity
Churn
Issues
A
setup.py
11 25 -
A
pyscf\x2c\x2c.py
158 25 -
A
pyscf\x2c\test\test_x2c_hess.py
34 2 -
A
pyscf\x2c\test\test_x2c_grad.py
18 1 -
A
pyscf\x2c\test\test_x2c.py
8 5 -
A
pyscf\x2c\sfx2c1e_hess.py
8 6 -
A
pyscf\x2c\sfx2c1e_grad.py
12 5 -
A
pyscf\x2c\sfx2c1e.py
29 12 -
A
pyscf\x2c\__init__.py
 1 -
A
pyscf\tools\wfn_format.py
26 4 1
A
pyscf\tools\test\test_molden.py
7 2 -
A
pyscf\tools\test\test_mo_mapping.py
5 1 -
A
pyscf\tools\test\test_fcidump.py
7 4 -
A
pyscf\tools\test\test_cubegen.py
4 2 -
A
pyscf\tools\ring.py
2 1 -
A
pyscf\tools\molden.py
120 7 1
A
pyscf\tools\mo_mapping.py
7 3 -
A
pyscf\tools\fcidump.py
76 10 1
A
pyscf\tools\dump_mat.py
19 2 -
A
pyscf\tools\cubegen.py
34 3 -