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pyscf
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Grade
Name
Complexity
Churn
Issues
A
examples\pbc\04-input_basis.py
 1 -
A
pyscf\df\addons.py
38 5 1
A
pyscf\data\radii.py
 4 -
A
examples\pbc\06-input_ke_cutoff.py
 1 -
A
pyscf\df\df_jk.py
53 30 1
A
examples\geomopt\01-geomeTRIC.py
 2 -
A
pyscf\df\grad\rhf.py
31 5 4
A
examples\pbc\09-init_from_ase.py
 1 1
A
pyscf\df\grad\uhf.py
7 3 1
A
examples\ao2mo\04-dirac_hf_mo_integrals.py
 1 -
A
pyscf\df\test\test_df_jk.py
18 3 2
A
pyscf\df\test\test_df_hessian.py
3 1 2
A
pyscf\df\test\test_df_grad.py
3 1 2
A
pyscf\df\test\test_addons.py
3 1 1
A
pyscf\df\hessian\uks.py
16 4 7
A
pyscf\df\hessian\rhf.py
57 6 7
A
conda\build.sh
 3 -
A
examples\fci\33-rotate_wfn.py
 2 1
A
examples\pbc\05-input_pp.py
 1 1
A
pyscf\df\__init__.py
1 3 -