45#ifndef TYPES_LENNARDJONESINTERACTIONTYPE_HPP
46#define TYPES_LENNARDJONESINTERACTIONTYPE_HPP
66 RealType getSigma() {
return sigma; }
68 RealType getEpsilon() {
return epsilon; }
LennardJonesInteractionType 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.