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master
pyscf
343
issues
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pull requests
1,225
files
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CodeFactor Rating B+
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Grade
Name
Complexity
Churn
Issues
A
examples\scf\20-density_fitting.py
1
1
A
examples\scf\21-x2c.py
2
-
A
examples\scf\22-newton.py
1
1
A
examples\scf\23-decorate_scf.py
1
2
A
examples\scf\24-callback.py
1
1
-
A
examples\scf\24-tune_diis.py
3
-
A
examples\scf\30-scan_pes.py
2
-
A
examples\scf\31-cr_atom_rohf_tune_init_guess.py
1
1
A
examples\scf\31-v_atom_rohf.py
3
-
A
examples\scf\32-break_spin_symm.py
1
-
A
examples\scf\33-convert_to_dft.py
2
-
A
examples\scf\40-apply_electric_field.py
2
1
-
A
examples\scf\40-customizing_hamiltonian.py
2
1
A
examples\scf\41-hf_with_given_densityfit_ints.py
1
1
A
examples\scf\42-remove_linear_dep.py
3
2
-
A
examples\scf\43-custom_get_jk.py
2
1
1
A
examples\scf\44-soc_ecp.py
4
-
A
examples\scf\50-mom-deltaSCF.py
1
-
A
examples\scf\51-elecoup_mom.py
1
-
A
examples\scf\52-dynamically_control_level_shift.py
2
1
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