--- trunk/src/nonbonded/InteractionManager.cpp 2013/07/01 21:09:37 1895 +++ trunk/src/nonbonded/InteractionManager.cpp 2013/07/29 17:55:17 1915 @@ -477,6 +477,11 @@ namespace OpenMD { return; } + void InteractionManager::doReciprocalSpaceSum(){ + if (!initialized_) initialize(); + electrostatic_->ReciprocalSpaceSum(); + } + RealType InteractionManager::getSuggestedCutoffRadius(int *atid) { if (!initialized_) initialize();