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master
pyscf
343
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1,225
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1
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CodeFactor Rating B+
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Grade
Name
Complexity
Churn
Issues
A
examples\ci\32-wfn_overlap.py
1
1
A
examples\tools\02-molden.py
1
1
A
examples\adc\02-open_shell.py
3
-
A
examples\tools\04-analyze_local_orbitals.py
1
-
A
examples\df\00-with_df.py
1
1
A
examples\tools\06-chgcar.py
1
-
A
pyscf\lib\agf2\ragf2.h
0
1
-
A
examples\tools\12-einsum.py
2
-
A
examples\local_orb\10-modify_valence_space_for_meta_lowdin.py
1
2
A
examples\x2c\03-x2c_ghf.py
1
-
A
examples\adc\03-closed_shell_different_setup.py
3
1
A
pyscf\pbc\cc\test\test_h_2x2x1.py
1
-
A
pyscf\pbc\ao2mo\__init__.py
1
-
A
pyscf\lib\dft\grid_basis.h
0
1
-
A
pyscf\gto\basis\dyall_tz.py
2
-
A
pyscf\dft\gen_libxc_param.py
2
-
A
pyscf\data\radii.py
4
-
A
examples\ao2mo\01-outcore.py
1
2
A
examples\fci\33-rotate_wfn.py
2
1
A
examples\pbc\05-input_pp.py
1
1
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