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root/OpenMD/trunk/src/applications/staticProps/GofXyz.cpp
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Comparing trunk/src/applications/staticProps/GofXyz.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 r3 =sd3->getPos();
107        Vector3d r1 = sd1->getPos();
108        Vector3d v1 =  r3 - r1;
109 <      info_->getSnapshotManager()->getCurrentSnapshot()->wrapVector(v1);
109 >      if (usePeriodicBoundaryConditions_)
110 >        info_->getSnapshotManager()->getCurrentSnapshot()->wrapVector(v1);
111        Vector3d zaxis = sd1->getElectroFrame().getColumn(2);
112        Vector3d xaxis = cross(v1, zaxis);
113        Vector3d yaxis = cross(zaxis, xaxis);
# Line 130 | Line 131 | namespace oopse {
131      Vector3d pos1 = sd1->getPos();
132      Vector3d pos2 = sd2->getPos();
133      Vector3d r12 = pos2 - pos1;
134 <    currentSnapshot_->wrapVector(r12);
134 >    if (usePeriodicBoundaryConditions_)
135 >      currentSnapshot_->wrapVector(r12);
136  
137      std::map<int, RotMat3x3d>::iterator i = rotMats_.find(sd1->getGlobalIndex());
138      assert(i != rotMats_.end());

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