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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 307 by tim, Wed Feb 9 18:12:47 2005 UTC vs.
Revision 309 by tim, Thu Feb 10 14:15:52 2005 UTC

# Line 73 | Line 73 | void GofR::processHistogram() {
73  
74      for(int i = 0 ; i < histogram_.size(); ++i){
75  
76 <        double rLower = i * delta_;
77 <        double rUpper = rLower + delta_;
76 >        double rLower = i * deltaR_;
77 >        double rUpper = rLower + deltaR_;
78          double volSlice = ( rUpper * rUpper * rUpper ) - ( rLower * rLower * rLower );
79          double nIdeal = volSlice * pairConstant;
80  
# Line 96 | Line 96 | void GofR::collectHistogram(StuntDouble* sd1, StuntDou
96  
97      double distance = r12.length();
98  
99 <    int whichBin = distance / delta_;
99 >    int whichBin = distance / deltaR_;
100      histogram_[whichBin] ++;
101      npairs_++;
102   }
# Line 110 | Line 110 | void GofR::writeRdf() {
110          rdfStream << "selection2: (" << selectionScript2_ << ")\n";
111          rdfStream << "#r\tcorrValue\n";
112          for (int i = 0; i < avgGofr_.size(); ++i) {
113 <            double r = delta_ * (i + 0.5);
113 >            double r = deltaR_ * (i + 0.5);
114              rdfStream << r << "\t" << avgGofr_[i]/nProcessed_ << "\n";
115          }
116          

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