--- branches/development/src/io/NonBondedInteractionsSectionParser.cpp 2011/09/13 14:12:54 1624 +++ branches/development/src/io/NonBondedInteractionsSectionParser.cpp 2011/11/22 14:37:41 1664 @@ -41,10 +41,9 @@ #include "io/NonBondedInteractionsSectionParser.hpp" #include "types/AtomType.hpp" -#include "types/ShiftedMorseInteractionType.hpp" +#include "types/MorseInteractionType.hpp" #include "types/MAWInteractionType.hpp" #include "types/LennardJonesInteractionType.hpp" -#include "types/RepulsiveMorseInteractionType.hpp" #include "types/RepulsivePowerInteractionType.hpp" #include "UseTheForce/ForceField.hpp" #include "utils/simError.h" @@ -109,7 +108,7 @@ namespace OpenMD { RealType r0 = tokenizer.nextTokenAsDouble(); RealType D0 = tokenizer.nextTokenAsDouble(); RealType beta0 = tokenizer.nextTokenAsDouble(); - interactionType = new ShiftedMorseInteractionType(D0, beta0, r0); + interactionType = new MorseInteractionType(D0, beta0, r0, mtShifted); } break; @@ -123,7 +122,7 @@ namespace OpenMD { RealType r0 = tokenizer.nextTokenAsDouble(); RealType D0 = tokenizer.nextTokenAsDouble(); RealType beta0 = tokenizer.nextTokenAsDouble(); - interactionType = new RepulsiveMorseInteractionType(D0, beta0, r0); + interactionType = new MorseInteractionType(D0, beta0, r0, mtRepulsive); } break;