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root/OpenMD/trunk/src/applications/nanoparticleBuilder/icosahedralBuilder.cpp
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Comparing trunk/src/applications/nanoparticleBuilder/icosahedralBuilder.cpp (file contents):
Revision 1941 by gezelter, Sun Jun 16 15:15:42 2013 UTC vs.
Revision 1942 by gezelter, Tue Nov 5 18:33:42 2013 UTC

# Line 66 | Line 66 | void createMdFile(const std::string&oldMdFileName,
66    newMdFile.open(newMdFileName.c_str());
67    oldMdFile.getline(buffer, MAXLEN);
68  
69 –  unsigned int i = 0;
69    while (!oldMdFile.eof()) {
70  
71      //correct molecule number
# Line 167 | Line 166 | int main(int argc, char *argv []) {
166      CurlingStoneDecahedron* csd = new CurlingStoneDecahedron(columnAtoms, nShells, twinAtoms, truncatedPlanes);
167      Points = csd->getPoints();
168    }
170 –  
171 –    
169  
170    outputFileName = args_info.output_arg;
171    
172 <  //creat new .md file on fly which corrects the number of molecule    
172 >  // create a new .md file on fly which corrects the number of
173 >  // molecules
174  
175    createMdFile(inputFileName, outputFileName, Points.size());
176    
# Line 236 | Line 234 | int main(int argc, char *argv []) {
234  
235    delete writer;
236  
237 <  // cleanup a by calling sim error.....
237 >  // clean up by calling simError.....
238    sprintf(painCave.errMsg, "A new OpenMD file called \"%s\" has been "
239            "generated.\n", outputFileName.c_str());
240    painCave.isFatal = 0;

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