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root/OpenMD/branches/development/src/applications/staticProps/BOPofR.cpp
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Comparing branches/development/src/applications/staticProps/BOPofR.cpp (file contents):
Revision 1764 by gezelter, Tue Jul 3 18:32:27 2012 UTC vs.
Revision 1794 by gezelter, Thu Sep 6 19:44:06 2012 UTC

# Line 145 | Line 145 | namespace OpenMD {
145    }
146  
147    
148 <  void BOPofR::initalizeHistogram() {
148 >  void BOPofR::initializeHistogram() {
149          for (int i = 0; i < nBins_; i++){
150                  RCount_[i] = 0;
151                  WofR_[i] = 0;
# Line 167 | Line 167 | namespace OpenMD {
167      RealType costheta;
168      RealType phi;
169      RealType r;
170 –    RealType dist;
170      Vector3d rCOM;
171      RealType distCOM;
172      Vector3d pos;
# Line 184 | Line 183 | namespace OpenMD {
183      std::vector<ComplexType> W_hat;
184      int nBonds, Nbonds;
185      SphericalHarmonic sphericalHarmonic;
186 <    int i, j;
187 <
186 >    int i;
187 >    
188      DumpReader reader(info_, dumpFilename_);    
189      int nFrames = reader.getNFrames();
190      frameCounter_ = 0;
# Line 323 | Line 322 | namespace OpenMD {
322  
323      if ( distCOM < len_){
324        // Figure out where this distance goes...
325 <      int whichBin = distCOM / deltaR_;
325 >      int whichBin = int(distCOM / deltaR_);
326        RCount_[whichBin]++;
327  
328        if(real(what[6]) < -0.15){                                

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