Defines electronic property calculators.

See electronic_property.

class ElectronicPropertyCalculator

Bases: object

Methods

dipole_moment
electron_affinity
ionization_potential

__init__(self, /, *args, **kwargs)

Initialize self. See help(type(self)) for accurate signature.

dipole_moment(self, mol, conformer=-1)

electron_affinity(self, mol, conformer=-1)

ionization_potential(self, mol, conformer=-1)