--- branches/development/src/nonbonded/SC.cpp 2010/10/02 20:41:53 1504 +++ branches/development/src/nonbonded/SC.cpp 2010/10/03 22:18:59 1505 @@ -385,4 +385,17 @@ namespace OpenMD { return; } + + RealType SC::getSuggestedCutoffRadius(AtomType* at1, AtomType* at2) { + if (!initialized_) initialize(); + pair key = make_pair(at1, at2); + map, SCInteractionData>::iterator it; + it = MixingMap.find(key); + if (it == MixingMap.end()) + return 0.0; + else { + SCInteractionData mixer = (*it).second; + return mixer.rCut; + } + } }