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master
pyscf
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  • 281 issues
  • 0 pull requests
  • 1,225 files
  • 1 active branch

CodeFactor Rating A

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Grade
Name
Complexity
Churn
Issues
A
examples\scf\53-dynamic_sz.py
1 -
A
examples\scf\54-fractional_occupancy.py
1 -
A
examples\scf\55-overload_convergence_criteria.py
2 1 -
A
examples\scf\56-h2_symm_breaking.py
7 1 -
A
examples\scf\70-background_and_hot_tuning.py
2 -
A
examples\scf\71-patch_scf_kernel.py
5 1 -
A
examples\sgx\00-simple_sgx.py
2 -
A
examples\sgx\01-pscreen_large_mol.py
1 -
A
examples\solvent\00-scf_with_ddcosmo.py
5 -
A
examples\solvent\01-casscf_with_ddcosmo.py
2 -
A
examples\solvent\02-casci_with_ddcosmo.py
2 -
A
examples\solvent\03-ccsd_with_ddcosmo.py
2 -
A
examples\solvent\04-pe_potfile_from_pyframe.py
2 -
A
examples\solvent\04-scf_with_pe.py
2 -
A
examples\solvent\20-state_specific_casci.py
1 -
A
examples\solvent\21-tddft_equilibrium_solvation.py
1 -
A
examples\solvent\21-tddft_geomopt.py
1 -
A
examples\symm\30-guess_symmetry.py
2 -
A
examples\symm\31-symmetrize_space.py
1 -
A
examples\symm\32-symmetrize_natural_orbital.py
1 -
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