ViewVC Help
View File | Revision Log | Show Annotations | View Changeset | Root Listing
root/OpenMD/branches/development/src/applications/staticProps/GofAngle2.cpp
(Generate patch)

Comparing branches/development/src/applications/staticProps/GofAngle2.cpp (file contents):
Revision 1787 by gezelter, Wed Aug 29 18:13:11 2012 UTC vs.
Revision 1798 by gezelter, Thu Sep 13 14:10:11 2012 UTC

# Line 74 | Line 74 | namespace OpenMD {
74      }
75    }
76  
77 <  void GofAngle2::initalizeHistogram() {
77 >  void GofAngle2::initializeHistogram() {
78      npairs_ = 0;
79      for (unsigned int i = 0; i < histogram_.size(); ++i)
80        std::fill(histogram_[i].begin(), histogram_[i].end(), 0);
# Line 124 | Line 124 | namespace OpenMD {
124      RealType cosAngle2 = dot(dipole1, dipole2);
125  
126      RealType halfBin = (nAngleBins_ - 1) * 0.5;
127 <    int angleBin1 = halfBin * (cosAngle1 + 1.0);
128 <    int angleBin2 = halfBin * (cosAngle2 + 1.0);
127 >    int angleBin1 = int(halfBin * (cosAngle1 + 1.0));
128 >    int angleBin2 = int(halfBin * (cosAngle2 + 1.0));
129  
130      ++histogram_[angleBin1][angleBin2];    
131      ++npairs_;
# Line 139 | Line 139 | namespace OpenMD {
139        rdfStream << "selection2: (" << selectionScript2_ << ")\n";
140        rdfStream << "#nAngleBins =" << nAngleBins_ << "deltaCosAngle = " << deltaCosAngle_ << "\n";
141        for (unsigned int i = 0; i < avgGofr_.size(); ++i) {
142 <        RealType cosAngle1 = -1.0 + (i + 0.5)*deltaCosAngle_;
143 <
142 >        // RealType cosAngle1 = -1.0 + (i + 0.5)*deltaCosAngle_;
143 >        
144          for(unsigned int j = 0; j < avgGofr_[i].size(); ++j) {
145 <          RealType cosAngle2 = -1.0 + (j + 0.5)*deltaCosAngle_;
145 >          // RealType cosAngle2 = -1.0 + (j + 0.5)*deltaCosAngle_;
146            rdfStream <<avgGofr_[i][j]/nProcessed_ << "\t";
147          }
148  

Diff Legend

– Removed lines
+ Added lines
< Changed lines
> Changed lines