| 36 |
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* [1] Meineke, et al., J. Comp. Chem. 26, 252-271 (2005). |
| 37 |
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* [2] Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006). |
| 38 |
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* [3] Sun, Lin & Gezelter, J. Chem. Phys. 128, 24107 (2008). |
| 39 |
< |
* [4] Vardeman & Gezelter, in progress (2009). |
| 39 |
> |
* [4] Kuang & Gezelter, J. Chem. Phys. 133, 164101 (2010). |
| 40 |
> |
* [5] Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011). |
| 41 |
|
*/ |
| 42 |
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|
| 43 |
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/** |
| 44 |
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* @file Velocitizer.hpp |
| 45 |
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* @author tlin |
| 46 |
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* @date 11/14/2004 |
| 46 |
– |
* @time 13:25am |
| 47 |
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* @version 1.0 |
| 48 |
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*/ |
| 49 |
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| 50 |
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#ifndef INTEGRATORS_VELOCITIZER_HPP |
| 51 |
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#define INTEGRATORS_VELOCITIZER_HPP |
| 52 |
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#include "brains/SimInfo.hpp" |
| 53 |
+ |
#include "brains/Thermo.hpp" |
| 54 |
|
#include "math/RandNumGen.hpp" |
| 55 |
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|
| 56 |
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namespace OpenMD { |
| 74 |
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|
| 75 |
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private: |
| 76 |
|
|
| 77 |
< |
SimInfo* info_; |
| 78 |
< |
|
| 77 |
> |
SimInfo* info_; |
| 78 |
> |
Thermo thermo; |
| 79 |
|
RandNumGen* randNumGen_; |
| 80 |
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|
| 81 |
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}; |
