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pyscf
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Grade
Name
Complexity
Churn
Issues
A
pyscf\mcscf\newton_casscf.py
80 8 2
A
pyscf\lib\pbc\grid_ao.c
74 4 2
A
pyscf\lib\gto\ft_ao.c
236 8 2
A
pyscf\pbc\df\fft_ao2mo.py
72 4 2
A
pyscf\cc\uccsd_t.py
41 5 2
A
pyscf\pbc\df\rsdf.py
68 1 2
A
pyscf\lib\np_helper\npdot.c
59 3 2
A
pyscf\lib\gto\deriv1.c
101 6 2
A
pyscf\lib\ao2mo\nr_ao2mo.c
191 2 2
A
pyscf\gto\basis\parse_nwchem.py
114 15 1
A
pyscf\gto\basis\__init__.py
51 7 1
A
pyscf\grad\tduks.py
30 10 1
A
pyscf\gw\gw_ac.py
59 4 1
A
pyscf\grad\uccsd.py
42 11 1
A
pyscf\grad\tdrks.py
37 9 1
A
pyscf\fci\selected_ci_slow.py
89 4 1
A
pyscf\geomopt\geometric_solver.py
23 14 1
A
examples\2-benchmark\atomic_configuration\atom_ecp.py
1 1 1
A
pyscf\gw\gw_slow.py
42 2 1
A
pyscf\grad\ccsd.py
53 16 1