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root/OpenMD/branches/development/src/applications/staticProps/pAngle.cpp
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Comparing branches/development/src/applications/staticProps/pAngle.cpp (file contents):
Revision 1465 by chuckv, Fri Jul 9 23:08:25 2010 UTC vs.
Revision 1629 by gezelter, Wed Sep 14 21:15:17 2011 UTC

# Line 100 | Line 100 | namespace OpenMD {
100          seleMan_.setSelectionSet(evaluator_.evaluate());
101        }
102        
103 +      int runningTot = 0;
104        for (sd = seleMan_.beginSelected(i); sd != NULL;
105             sd = seleMan_.nextSelected(i)) {
106          
# Line 134 | Line 135 | namespace OpenMD {
135        atot += count_[i];
136      
137      for(int i = 0; i < count_.size(); ++i) {
138 <      histogram_[i] = double(count_[i] / atot);
138 >      histogram_[i] = double(count_[i] / double(atot));
139      }    
140    }
141    
# Line 147 | Line 148 | namespace OpenMD {
148        rdfStream << "#nFrames:\t" << nProcessed_ << "\n";
149        rdfStream << "#selection: (" << selectionScript_ << ")\n";
150        rdfStream << "#cos(theta)\tp(cos(theta))\n";
151 +      RealType dct = 2.0 / histogram_.size();
152        for (int i = 0; i < histogram_.size(); ++i) {
153 <        RealType ct = -1.0 + i / histogram_.size();
154 <        rdfStream << ct << "\t" << histogram_[i] << "\n";
153 >        RealType ct = -1.0 + (2.0 * i + 1) / (histogram_.size());
154 >        rdfStream << ct << "\t" << histogram_[i]/dct << "\n";
155        }
156        
157      } else {

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