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root/OpenMD/trunk/src/applications/staticProps/GofR.cpp
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Comparing trunk/src/applications/staticProps/GofR.cpp (file contents):
Revision 353 by tim, Wed Feb 16 19:36:30 2005 UTC vs.
Revision 361 by tim, Thu Feb 17 18:30:54 2005 UTC

# Line 46 | Line 46 | namespace oopse {
46  
47   namespace oopse {
48  
49 < GofR::GofR(SimInfo* info, const std::string& filename, const std::string& sele1, const std::string& sele2)
50 <    : RadialDistrFunc(info, filename, sele1, sele2){
49 > GofR::GofR(SimInfo* info, const std::string& filename, const std::string& sele1, const std::string& sele2, double len, int nrbins)
50 >    : RadialDistrFunc(info, filename, sele1, sele2), len_(len), nRBins_(nrbins){
51  
52      deltaR_ = len_ /nRBins_;
53      
# Line 94 | Line 94 | void GofR::collectHistogram(StuntDouble* sd1, StuntDou
94      
95      Vector3d pos1 = sd1->getPos();
96      Vector3d pos2 = sd2->getPos();
97 <    Vector3d r12 = pos1 - pos2;
97 >    Vector3d r12 = pos2 - pos1;
98      currentSnapshot_->wrapVector(r12);
99  
100      double distance = r12.length();
# Line 120 | Line 120 | void GofR::writeRdf() {
120          
121      } else {
122  
123 <
123 >        sprintf(painCave.errMsg, "GofR: unable to open %s\n", outputFilename_.c_str());
124 >        painCave.isFatal = 1;
125 >        simError();  
126      }
127  
128      rdfStream.close();

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