45#ifndef TYPES_REPULSIVEPOWERINTERACTIONTYPE_HPP
46#define TYPES_REPULSIVEPOWERINTERACTIONTYPE_HPP
67 RealType getSigma() {
return sigma; }
69 RealType getEpsilon() {
return epsilon; }
71 int getNrep() {
return nRep; }
NonBondedInteractionType class is responsible for keeping track of static (unchanging) parameters for...
RepulsivePowerInteractionType is one of the basic interaction types.
This basic Periodic Table class was originally taken from the data.cpp file in OpenBabel.