--- branches/development/src/nonbonded/InteractionManager.cpp 2012/06/14 01:58:35 1755 +++ branches/development/src/nonbonded/InteractionManager.cpp 2013/02/20 15:39:39 1850 @@ -35,7 +35,7 @@ * * [1] Meineke, et al., J. Comp. Chem. 26, 252-271 (2005). * [2] Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006). - * [3] Sun, Lin & Gezelter, J. Chem. Phys. 128, 24107 (2008). + * [3] Sun, Lin & Gezelter, J. Chem. Phys. 128, 234107 (2008). * [4] Kuang & Gezelter, J. Chem. Phys. 133, 164101 (2010). * [5] Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011). */ @@ -111,7 +111,7 @@ namespace OpenMD { bool vdwExplicit = false; bool metExplicit = false; - bool hbExplicit = false; + // bool hbExplicit = false; key = make_pair(atype1, atype2); @@ -304,10 +304,6 @@ namespace OpenMD { eam_->setCutoffRadius(rcut); } - void InteractionManager::setSwitchingRadius(RealType rswitch) { - electrostatic_->setSwitchingRadius(rswitch); - } - void InteractionManager::doPrePair(InteractionData idat){ if (!initialized_) initialize();