| 5 |
|
* redistribute this software in source and binary code form, provided |
| 6 |
|
* that the following conditions are met: |
| 7 |
|
* |
| 8 |
< |
* 1. Acknowledgement of the program authors must be made in any |
| 9 |
< |
* publication of scientific results based in part on use of the |
| 10 |
< |
* program. An acceptable form of acknowledgement is citation of |
| 11 |
< |
* the article in which the program was described (Matthew |
| 12 |
< |
* A. Meineke, Charles F. Vardeman II, Teng Lin, Christopher |
| 13 |
< |
* J. Fennell and J. Daniel Gezelter, "OOPSE: An Object-Oriented |
| 14 |
< |
* Parallel Simulation Engine for Molecular Dynamics," |
| 15 |
< |
* J. Comput. Chem. 26, pp. 252-271 (2005)) |
| 16 |
< |
* |
| 17 |
< |
* 2. Redistributions of source code must retain the above copyright |
| 8 |
> |
* 1. Redistributions of source code must retain the above copyright |
| 9 |
|
* notice, this list of conditions and the following disclaimer. |
| 10 |
|
* |
| 11 |
< |
* 3. Redistributions in binary form must reproduce the above copyright |
| 11 |
> |
* 2. Redistributions in binary form must reproduce the above copyright |
| 12 |
|
* notice, this list of conditions and the following disclaimer in the |
| 13 |
|
* documentation and/or other materials provided with the |
| 14 |
|
* distribution. |
| 27 |
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* arising out of the use of or inability to use software, even if the |
| 28 |
|
* University of Notre Dame has been advised of the possibility of |
| 29 |
|
* such damages. |
| 30 |
+ |
* |
| 31 |
+ |
* SUPPORT OPEN SCIENCE! If you use OpenMD or its source code in your |
| 32 |
+ |
* research, please cite the appropriate papers when you publish your |
| 33 |
+ |
* work. Good starting points are: |
| 34 |
+ |
* |
| 35 |
+ |
* [1] Meineke, et al., J. Comp. Chem. 26, 252-271 (2005). |
| 36 |
+ |
* [2] Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006). |
| 37 |
+ |
* [3] Sun, Lin & Gezelter, J. Chem. Phys. 128, 24107 (2008). |
| 38 |
+ |
* [4] Vardeman & Gezelter, in progress (2009). |
| 39 |
|
* |
| 40 |
|
* |
| 41 |
|
* randomBuilder.cpp |
| 42 |
|
* |
| 43 |
|
* Created by Charles F. Vardeman II on 10 Apr 2006. |
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|
* @author Charles F. Vardeman II |
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< |
* @version $Id: randomBuilder.cpp,v 1.7 2006-10-18 19:35:07 gezelter Exp $ |
| 45 |
> |
* @version $Id: randomBuilder.cpp,v 1.8 2009-11-25 20:01:58 gezelter Exp $ |
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|
* |
| 47 |
|
*/ |
| 48 |
|
|
| 69 |
|
#include "utils/StringUtils.hpp" |
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|
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|
using namespace std; |
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< |
using namespace oopse; |
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> |
using namespace OpenMD; |
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|
|
| 74 |
|
void createMdFile(const std::string&oldMdFileName, |
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const std::string&newMdFileName, |
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|
|
| 349 |
|
delete writer; |
| 350 |
|
|
| 351 |
< |
sprintf(painCave.errMsg, "A new OOPSE MD file called \"%s\" has been " |
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> |
sprintf(painCave.errMsg, "A new OpenMD file called \"%s\" has been " |
| 352 |
|
"generated.\n", outputFileName.c_str()); |
| 353 |
|
painCave.isFatal = 0; |
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|
simError(); |