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root/OpenMD/branches/development/src/applications/nanoparticleBuilder/nanoparticleBuilder.cpp
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Comparing branches/development/src/applications/nanoparticleBuilder/nanoparticleBuilder.cpp (file contents):
Revision 1832 by gezelter, Thu Jan 10 18:15:02 2013 UTC vs.
Revision 1874 by gezelter, Wed May 15 15:09:35 2013 UTC

# Line 35 | Line 35
35   *                                                                      
36   * [1]  Meineke, et al., J. Comp. Chem. 26, 252-271 (2005).            
37   * [2]  Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006).          
38 < * [3]  Sun, Lin & Gezelter, J. Chem. Phys. 128, 24107 (2008).          
38 > * [3]  Sun, Lin & Gezelter, J. Chem. Phys. 128, 234107 (2008).          
39   * [4]  Kuang & Gezelter,  J. Chem. Phys. 133, 164101 (2010).
40   * [5]  Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011).
41   */
# Line 365 | Line 365 | int main(int argc, char *argv []) {
365    //creat new .md file on fly which corrects the number of molecule    
366    createMdFile(inputFileName, outputFileName, nMol);
367    
368 <  if (oldInfo != NULL)
369 <    delete oldInfo;
368 >  delete oldInfo;
369    
370    SimCreator newCreator;
371    SimInfo* NewInfo = newCreator.createSim(outputFileName, false);

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