NaturalPopulation

class emmet.core.molecules.orbitals.NaturalPopulation(atom_index, core_electrons, valence_electrons, rydberg_electrons, total_electrons)

Bases: MSONable

Parameters:
  • atom_index (int)

  • core_electrons (float)

  • valence_electrons (float)

  • rydberg_electrons (float)

  • total_electrons (float)