pydft_qmmm.potentials.pme_potential

Classes for introducing arbitrary potentials to QM calculations.

Classes

HelPMEPyInterface(system, pme_alpha, ...)	A mix-in for initializing and storing PME settings for a system.
PMEElectronicPotential(system, pme_alpha, ...)	Representation of a PME electrostatic potential on the electrons.
PMEExcludedPotential(system, pme_alpha, ...)	Representation of a PME electrostatic potential on excluded atoms.
PMENuclearPotential(system, pme_alpha, ...)	Representation of a PME electrostatic potential on the nuclei.