| 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 |
|
|
| 43 |
|
/** |
| 51 |
|
#ifndef INTEGRATORS_VELOCITIZER_HPP |
| 52 |
|
#define INTEGRATORS_VELOCITIZER_HPP |
| 53 |
|
#include "brains/SimInfo.hpp" |
| 54 |
+ |
#include "brains/Thermo.hpp" |
| 55 |
|
#include "math/RandNumGen.hpp" |
| 56 |
|
|
| 57 |
|
namespace OpenMD { |
| 75 |
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|
| 76 |
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private: |
| 77 |
|
|
| 78 |
< |
SimInfo* info_; |
| 79 |
< |
|
| 78 |
> |
SimInfo* info_; |
| 79 |
> |
Thermo thermo; |
| 80 |
|
RandNumGen* randNumGen_; |
| 81 |
|
|
| 82 |
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}; |
