pydft_qmmm.potentials.potential

Base classes for the potential API.

This module contains the atomic potential abstract base class, which represents any method that can be used to calculate energies and forces on atomic centers, and the electronic potential abstract base class, which can be used to evaluate an electronic potential at arbitrary points for the purpose of integration by quadrature.

Classes

AtomicPotential()	Representation of an arbitrary potential on atoms.
ElectronicPotential()	Representation of an arbitrary potential on electrons.