--- branches/development/src/nonbonded/InteractionManager.cpp 2012/05/18 21:44:02 1710 +++ branches/development/src/nonbonded/InteractionManager.cpp 2012/08/29 18:13:11 1787 @@ -60,7 +60,9 @@ namespace OpenMD { } void InteractionManager::initialize() { - + + if (initialized_) return; + ForceField* forceField_ = info_->getForceField(); lj_->setForceField(forceField_); @@ -302,10 +304,6 @@ namespace OpenMD { eam_->setCutoffRadius(rcut); } - void InteractionManager::setSwitchingRadius(RealType rswitch) { - electrostatic_->setSwitchingRadius(rswitch); - } - void InteractionManager::doPrePair(InteractionData idat){ if (!initialized_) initialize(); @@ -379,7 +377,7 @@ namespace OpenMD { RealType InteractionManager::getSuggestedCutoffRadius(int *atid) { if (!initialized_) initialize(); - + AtomType* atype = typeMap_[*atid]; pair key = make_pair(atype, atype);