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root/OpenMD/trunk/src/applications/staticProps/GofAngle2.cpp
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Comparing trunk/src/applications/staticProps/GofAngle2.cpp (file contents):
Revision 507 by gezelter, Fri Apr 15 22:04:00 2005 UTC vs.
Revision 1041 by gezelter, Wed Sep 20 20:13:40 2006 UTC

# Line 102 | Line 102 | namespace oopse {
102      dipole2.normalize();    
103      
104  
105 <    double cosAngle1 = dot(r12, dipole1);
106 <    double cosAngle2 = dot(dipole1, dipole2);
105 >    RealType cosAngle1 = dot(r12, dipole1);
106 >    RealType cosAngle2 = dot(dipole1, dipole2);
107  
108 <    double halfBin = (nAngleBins_ - 1) * 0.5;
108 >    RealType halfBin = (nAngleBins_ - 1) * 0.5;
109      int angleBin1 = halfBin * (cosAngle1 + 1.0);
110 <    int angleBin2 = halfBin * (cosAngle1 + 1.0);
110 >    int angleBin2 = halfBin * (cosAngle2 + 1.0);
111  
112 <    ++histogram_[angleBin1][angleBin1];    
112 >    ++histogram_[angleBin1][angleBin2];    
113      ++npairs_;
114    }
115  
# Line 121 | Line 121 | namespace oopse {
121        rdfStream << "selection2: (" << selectionScript2_ << ")\n";
122        rdfStream << "#nAngleBins =" << nAngleBins_ << "deltaCosAngle = " << deltaCosAngle_ << "\n";
123        for (int i = 0; i < avgGofr_.size(); ++i) {
124 <        double cosAngle1 = -1.0 + (i + 0.5)*deltaCosAngle_;
124 >        RealType cosAngle1 = -1.0 + (i + 0.5)*deltaCosAngle_;
125  
126          for(int j = 0; j < avgGofr_[i].size(); ++j) {
127 <          double cosAngle2 = -1.0 + (j + 0.5)*deltaCosAngle_;
127 >          RealType cosAngle2 = -1.0 + (j + 0.5)*deltaCosAngle_;
128            rdfStream <<avgGofr_[i][j]/nProcessed_ << "\t";
129          }
130  

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