| 6 |
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* redistribute this software in source and binary code form, provided |
| 7 |
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* that the following conditions are met: |
| 8 |
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* |
| 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 |
< |
* |
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< |
* 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. |
| 28 |
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* 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). |
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|
*/ |
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|
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/** |
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|
#include <list> |
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#include <string> |
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#include <vector> |
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< |
namespace oopse{ |
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> |
#include "config.h" |
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> |
namespace OpenMD{ |
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|
|
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/** |
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* @ class GenericData GenericData.hpp "utils/GenericData.hpp" |
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/** FloatGenericData is a generic data type contains a float variable */ |
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typedef SimpleTypeData<float> FloatGenericData; |
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|
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< |
/** DoubleGenericData is a generic data type contains a double variable */ |
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< |
typedef SimpleTypeData<double> DoubleGenericData; |
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> |
/** DoubleGenericData is a generic data type contains a RealType variable */ |
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> |
typedef SimpleTypeData<RealType> DoubleGenericData; |
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|
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/** |
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* @typedef StringGenericData |
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|
* PropertyMap propMap; |
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|
* GenericData* gdata; |
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* |
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< |
* s->setData("OOPSE"); |
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> |
* s->setData("OpenMD"); |
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|
* propMap->addProperty(s); |
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* |
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* gdata = propMap->getPropertyByName("MyStringGenericData"); |
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|
|
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|
/** |
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* @typedef IntVectorGenericData |
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< |
* A generic data type contains a std::vector<double> variable. |
| 221 |
> |
* A generic data type contains a std::vector<RealType> variable. |
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|
*/ |
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< |
typedef VectorTypeData<double> DoubleVectorGenericData; |
| 223 |
> |
typedef VectorTypeData<RealType> DoubleVectorGenericData; |
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|
|
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|
/** |
| 226 |
|
* @typedef StringVectorGenericData |
| 233 |
|
* std::vector<std::string>::iterator iter; |
| 234 |
|
* |
| 235 |
|
* sv->push_back("Hello World"); |
| 236 |
< |
* sv->push_back("OOPSE"); |
| 236 |
> |
* sv->push_back("OpenMD"); |
| 237 |
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* |
| 238 |
|
* propMap.addProperty(sv); |
| 239 |
|
* |
| 253 |
|
typedef VectorTypeData<std::string> StringVectorGenericData; |
| 254 |
|
|
| 255 |
|
|
| 256 |
< |
} // namespace oopse |
| 256 |
> |
} // namespace OpenMD |
| 257 |
|
#endif //UTIL _GENERICDATA_HPP |
