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root/OpenMD/trunk/src/brains/ForceField.cpp
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Comparing trunk/src/UseTheForce/ForceField.cpp (file contents):
Revision 1302 by cli2, Wed Sep 10 19:40:06 2008 UTC vs.
Revision 1303 by cli2, Mon Oct 13 21:35:22 2008 UTC

# Line 348 | Line 348 | namespace oopse {
348      keys.push_back(at4);    
349  
350      //try exact match first
351 <    InversionType* inversionType = inversionTypeCont_.find(keys);
351 >    InversionType* inversionType = inversionTypeCont_.permutedFindSkippingFirstElement(keys);
352      if (inversionType) {
353        return inversionType;
354      } else {
# Line 410 | Line 410 | namespace oopse {
410                myKeys.push_back((*k)->getName());
411                myKeys.push_back((*l)->getName());
412                
413 <              InversionType* inversionType = inversionTypeCont_.find(myKeys);
413 >              InversionType* inversionType = inversionTypeCont_.permutedFindSkippingFirstElement(myKeys);
414                if (inversionType) {
415                  foundInversions.push_back( make_tuple3(Iscore, JKLscore, myKeys) );
416                }
# Line 429 | Line 429 | namespace oopse {
429          int jklscore = foundInversions[0].second;
430          std::vector<std::string> theKeys = foundInversions[0].third;
431          
432 <        InversionType* bestType = inversionTypeCont_.find(theKeys);
432 >        InversionType* bestType = inversionTypeCont_.permutedFindSkippingFirstElement(theKeys);
433          return bestType;
434        } else {
435          //if no exact match found, try wild card match

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