45#ifndef TYPES_MIEINTERACTIONTYPE_HPP
46#define TYPES_MIEINTERACTIONTYPE_HPP
70 RealType getSigma() {
return sigma; }
72 RealType getEpsilon() {
return epsilon; }
74 int getNrep() {
return nRep; }
75 int getMatt() {
return mAtt; }
MieInteractionType is one of the basic interaction types.
NonBondedInteractionType class is responsible for keeping track of static (unchanging) parameters for...
This basic Periodic Table class was originally taken from the data.cpp file in OpenBabel.