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root/OpenMD/trunk/src/applications/nanoparticleBuilder/icosahedralBuilder.cpp
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Comparing branches/development/src/applications/nanoparticleBuilder/icosahedralBuilder.cpp (file contents):
Revision 1862 by gezelter, Fri Apr 12 20:45:04 2013 UTC vs.
Revision 1876 by gezelter, Fri May 17 17:10:11 2013 UTC

# Line 176 | Line 176 | int main(int argc, char *argv []) {
176  
177    createMdFile(inputFileName, outputFileName, Points.size());
178    
179 <  if (oldInfo != NULL)
180 <    delete oldInfo;
179 >  delete oldInfo;
180    
181    SimCreator newCreator;
182    SimInfo* NewInfo = newCreator.createSim(outputFileName, false);
# Line 195 | Line 194 | int main(int argc, char *argv []) {
194    Vector3d boxMax;
195    Vector3d boxMin;
196  
197 <  for (int n = 0; n < Points.size(); n++) {
197 >  for (unsigned int n = 0; n < Points.size(); n++) {
198      mol = NewInfo->getMoleculeByGlobalIndex(l);
199      Vector3d location = Points[n] * latticeConstant;
200      Vector3d orientation = Vector3d(0, 0, 1.0);
201 <
201 >    
202      if (n == 0) {
203        boxMax = location;
204        boxMin = location;

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