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Comparing trunk/src/applications/nanoparticleBuilder/nanoparticleBuilder.cpp (file contents):
Revision 1077 by gezelter, Wed Oct 18 19:35:07 2006 UTC vs.
Revision 1390 by gezelter, Wed Nov 25 20:02:06 2009 UTC

# Line 6 | Line 6
6   * redistribute this software in source and binary code form, provided
7   * that the following conditions are met:
8   *
9 < * 1. Acknowledgement of the program authors must be made in any
10 < *    publication of scientific results based in part on use of the
11 < *    program.  An acceptable form of acknowledgement is citation of
12 < *    the article in which the program was described (Matthew
13 < *    A. Meineke, Charles F. Vardeman II, Teng Lin, Christopher
14 < *    J. Fennell and J. Daniel Gezelter, "OOPSE: An Object-Oriented
15 < *    Parallel Simulation Engine for Molecular Dynamics,"
16 < *    J. Comput. Chem. 26, pp. 252-271 (2005))
17 < *
18 < * 2. Redistributions of source code must retain the above copyright
9 > * 1. Redistributions of source code must retain the above copyright
10   *    notice, this list of conditions and the following disclaimer.
11   *
12 < * 3. Redistributions in binary form must reproduce the above copyright
12 > * 2. Redistributions in binary form must reproduce the above copyright
13   *    notice, this list of conditions and the following disclaimer in the
14   *    documentation and/or other materials provided with the
15   *    distribution.
# Line 37 | Line 28
28   * arising out of the use of or inability to use software, even if the
29   * University of Notre Dame has been advised of the possibility of
30   * such damages.
31 + *
32 + * SUPPORT OPEN SCIENCE!  If you use OpenMD or its source code in your
33 + * research, please cite the appropriate papers when you publish your
34 + * work.  Good starting points are:
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).          
39 + * [4]  Vardeman & Gezelter, in progress (2009).                        
40   */
41  
42   #include <cstdlib>
# Line 64 | Line 64 | using namespace std;
64   #include "utils/StringUtils.hpp"
65  
66   using namespace std;
67 < using namespace oopse;
67 > using namespace OpenMD;
68   void createMdFile(const std::string&oldMdFileName,
69                    const std::string&newMdFileName,
70                    std::vector<int> numMol);
# Line 170 | Line 170 | int main(int argc, char *argv []) {
170          
171                    
172          sprintf(painCave.errMsg, "Removing %d atoms from randomly-selected\n"
173 <                "\tsites between %lf and %lf.", vacancyTargets.size(),
173 >                "\tsites between %lf and %lf.", (int) vacancyTargets.size(),
174                  vIR, vOR);
175          painCave.isFatal = 0;
176          simError();
# Line 434 | Line 434 | int main(int argc, char *argv []) {
434    delete writer;
435  
436    // cleanup a by calling sim error.....
437 <  sprintf(painCave.errMsg, "A new OOPSE MD file called \"%s\" has been "
437 >  sprintf(painCave.errMsg, "A new OpenMD file called \"%s\" has been "
438            "generated.\n", outputFileName.c_str());
439    painCave.isFatal = 0;
440    simError();

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