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root/OpenMD/trunk/src/applications/staticProps/GofRAngle.cpp
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Comparing trunk/src/applications/staticProps/GofRAngle.cpp (file contents):
Revision 963 by tim, Wed May 17 21:51:42 2006 UTC vs.
Revision 1078 by gezelter, Wed Oct 18 21:58:48 2006 UTC

# Line 106 | Line 106 | namespace oopse {
106      Vector3d pos1 = sd1->getPos();
107      Vector3d pos2 = sd2->getPos();
108      Vector3d r12 = pos2 - pos1;
109 <    currentSnapshot_->wrapVector(r12);
109 >    if (usePeriodicBoundaryConditions_)
110 >      currentSnapshot_->wrapVector(r12);
111  
112      RealType distance = r12.length();
113      int whichRBin = distance / deltaR_;
# Line 153 | Line 154 | namespace oopse {
154      Vector3d pos1 = sd1->getPos();
155      Vector3d pos2 = sd2->getPos();
156      Vector3d r12 = pos2 - pos1;
157 <    currentSnapshot_->wrapVector(r12);
157 >    
158 >    if (usePeriodicBoundaryConditions_)
159 >      currentSnapshot_->wrapVector(r12);
160 >
161      r12.normalize();
162      Vector3d dipole = sd1->getElectroFrame().getColumn(2);
163      dipole.normalize();    

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