| 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). |
| 39 |
> |
* [4] Kuang & Gezelter, J. Chem. Phys. 133, 164101 (2010). |
| 40 |
> |
* [5] Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011). |
| 41 |
|
*/ |
| 42 |
|
#include <fstream> |
| 43 |
|
#include <iostream> |
| 200 |
|
// Apply triangle force to stuntdouble vertices |
| 201 |
|
for (vertex = vertexSDs.begin(); vertex != vertexSDs.end(); ++vertex){ |
| 202 |
|
if ((*vertex) != NULL){ |
| 203 |
< |
Vector3d vertexForce = langevinForce / 3.0; |
| 203 |
> |
Vector3d vertexForce = langevinForce / RealType(3.0); |
| 204 |
|
(*vertex)->addFrc(vertexForce); |
| 205 |
|
} |
| 206 |
|
} |