Package etomica.potential

Interface PotentialPolarizable

All Known Implementing Classes:

P2HardAssociationGCPMReference, PNCO2GCPM, PNGCPM, PNGCPMX, PNWaterGCPM, PNWaterGCPMReactionField, PNWaterGCPMThreeSite

public interface PotentialPolarizable

Interface for a polarizable potential. The interface includes only a method that returns the polarization energy from the last call to energy(AtomSet).

Method Summary

Modifier and Type	Method	Description
double	getLastPolarizationEnergy()	Returns the polarization energy from the last call to energy(AtomSet).
double	getPolarizationEnergy(IMoleculeList atoms)	Returns the polarization contribution (non pairwise-additive) to the energy for the given AtomSet.

Method Detail

getLastPolarizationEnergy

double getLastPolarizationEnergy()

Returns the polarization energy from the last call to energy(AtomSet).

Returns:

getPolarizationEnergy

double getPolarizationEnergy(IMoleculeList atoms)

Returns the polarization contribution (non pairwise-additive) to the energy for the given AtomSet.