--- branches/development/src/nonbonded/EAM.cpp 2010/10/02 19:53:32 1502 +++ branches/development/src/nonbonded/EAM.cpp 2010/10/03 22:18:59 1505 @@ -486,5 +486,28 @@ namespace OpenMD { return; } + + RealType EAM::getSuggestedCutoffRadius(AtomType* at1, AtomType* at2) { + if (!initialized_) initialize(); + + RealType cut = 0.0; + + map::iterator it; + + it = EAMMap.find(at1); + if (it != EAMMap.end()) { + EAMAtomData data1 = (*it).second; + cut = data1.rcut; + } + + it = EAMMap.find(at2); + if (it != EAMMap.end()) { + EAMAtomData data2 = (*it).second; + if (data2.rcut > cut) + cut = data2.rcut; + } + + return cut; + } }