master
pyscf
Repository badge with A rating
View on GitHub
Grade
Name
Complexity
Churn
Issues
A
examples\cc\20-ip_ea_eom_ccsd.py
 1 -
A
examples\gto\20-ao_integrals.py
 4 -
A
examples\scf\22-newton.py
 1 -
A
examples\gto\20-ao_integrals_sph_to_spinor.py
 3 -
A
examples\scf\23-decorate_scf.py
 1 -
A
examples\scf\24-tune_diis.py
 3 -
A
examples\2-benchmark\c60.py
 2 -
A
examples\cc\21-dfccsd.py
 2 -
A
examples\scf\30-scan_pes.py
 2 -
A
pyscf\gto\__init__.py
 1 -
A
pyscf\gto\basis\dyall_dz.py
 2 -
A
examples\scf\31-cr_atom_rohf_tune_init_guess.py
 1 -
A
pyscf\gto\basis\dyall_qz.py
 2 -
A
pyscf\gto\basis\dyall_tz.py
 2 -
A
examples\gto\20-soc_ecp.py
 5 -
A
examples\scf\31-v_atom_rohf.py
 3 -
A
pyscf\gto\basis\dzp_dunning.py
 2 -
A
pyscf\gto\basis\faegre_dz.py
 1 -
A
examples\scf\32-break_spin_symm.py
 1 -
A
pyscf\gto\basis\iglo3.py
 1 -