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root/OpenMD/branches/development/src/nonbonded/Sticky.cpp
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Comparing branches/development/src/nonbonded/Sticky.cpp (file contents):
Revision 1536 by gezelter, Wed Jan 5 14:49:05 2011 UTC vs.
Revision 1545 by gezelter, Fri Apr 8 21:25:19 2011 UTC

# Line 190 | Line 190 | namespace OpenMD {
190    
191      if (!initialized_) initialize();
192      
193 –    pair<AtomType*, AtomType*> key = make_pair(idat.atype1, idat.atype2);
193      map<pair<AtomType*, AtomType*>, StickyInteractionData>::iterator it;
194 <    it = MixingMap.find(key);
194 >    it = MixingMap.find(idat.atypes);
195      if (it != MixingMap.end()) {
196  
197        StickyInteractionData mixer = (*it).second;
# Line 378 | Line 377 | namespace OpenMD {
377      return;      
378    }
379  
380 <  RealType Sticky::getSuggestedCutoffRadius(AtomType* at1, AtomType* at2) {
380 >  RealType Sticky::getSuggestedCutoffRadius(pair<AtomType*, AtomType*> atypes) {
381      if (!initialized_) initialize();  
383 –    pair<AtomType*, AtomType*> key = make_pair(at1, at2);
382      map<pair<AtomType*, AtomType*>, StickyInteractionData>::iterator it;
383 <    it = MixingMap.find(key);
383 >    it = MixingMap.find(atypes);
384      if (it == MixingMap.end())
385        return 0.0;
386      else  {

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