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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\cc\22-fnoccsd.py
2 -
A
examples\scf\33-convert_to_dft.py
2 -
A
pyscf\gto\basis\minao.py
3 -
A
pyscf\gto\basis\parse_ccECP.sh
2 -
A
examples\gto\22-range_separated_coulomb.py
1 -
A
examples\scf\40-customizing_hamiltonian.py
2 -
A
doc_legacy\source\nao\examples\create_qmmd.sh
1 3
A
examples\2-benchmark\ccsd_iteration.py
2 -
A
examples\cc\31-remove_linear_dep.py
1 -
A
examples\gto\23-orbitals_cart2sph.py
1 -
A
examples\scf\41-hf_with_given_densityfit_ints.py
1 -
A
examples\gto\24-ao_value_on_grid.py
1 -
A
examples\scf\44-soc_ecp.py
4 -
A
examples\scf\50-mom-deltaSCF.py
1 -
A
examples\cc\32-restart.py
1 -
A
examples\gto\25-multipole-integrals.py
2 -
A
examples\scf\51-elecoup_mom.py
1 -
A
examples\gto\30-read_molpro_orb.py
2 -
A
examples\scf\53-dynamic_sz.py
1 -
A
examples\2-benchmark\fci_iteration.py
2 -
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