| 35 |
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* |
| 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 |
< |
* [3] Sun, Lin & Gezelter, J. Chem. Phys. 128, 24107 (2008). |
| 38 |
> |
* [3] Sun, Lin & Gezelter, J. Chem. Phys. 128, 234107 (2008). |
| 39 |
|
* [4] Kuang & Gezelter, J. Chem. Phys. 133, 164101 (2010). |
| 40 |
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* [5] Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011). |
| 41 |
|
*/ |
| 164 |
|
|
| 165 |
|
int storageLayout_; |
| 166 |
|
bool needVelocities_; |
| 167 |
+ |
bool usePeriodicBoundaryConditions_; |
| 168 |
|
RealType skinThickness_; /**< Verlet neighbor list skin thickness */ |
| 169 |
|
RealType largestRcut_; |
| 170 |
|
|