--- branches/development/src/nonbonded/InteractionManager.cpp 2011/06/16 22:00:08 1583 +++ branches/development/src/nonbonded/InteractionManager.cpp 2011/06/21 06:34:35 1586 @@ -67,6 +67,7 @@ namespace OpenMD { eam_->setForceField(forceField_); sc_->setForceField(forceField_); morse_->setForceField(forceField_); + electrostatic_->setSimInfo(info_); electrostatic_->setForceField(forceField_); maw_->setForceField(forceField_); @@ -267,6 +268,15 @@ namespace OpenMD { } initialized_ = true; + } + + void InteractionManager::setCutoffRadius(RealType rcut) { + electrostatic_->setCutoffRadius(rcut); + eam_->setCutoffRadius(rcut); + } + + void InteractionManager::setSwitchingRadius(RealType rswitch) { + electrostatic_->setSwitchingRadius(rswitch); } void InteractionManager::doPrePair(InteractionData idat){ @@ -317,7 +327,7 @@ namespace OpenMD { void InteractionManager::doSkipCorrection(InteractionData idat){ if (!initialized_) initialize(); - + set::iterator it; for (it = interactions_[ idat.atypes ].begin();