| 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 |
|
|
| 43 |
|
#define _LARGEFILE_SOURCE64 |
| 465 |
|
torque[1] = tokenizer.nextTokenAsDouble(); |
| 466 |
|
torque[2] = tokenizer.nextTokenAsDouble(); |
| 467 |
|
integrableObject->setTrq(torque); |
| 468 |
+ |
break; |
| 469 |
+ |
} |
| 470 |
+ |
case 'u' : { |
| 471 |
+ |
|
| 472 |
+ |
RealType particlePot; |
| 473 |
+ |
particlePot = tokenizer.nextTokenAsDouble(); |
| 474 |
+ |
integrableObject->setParticlePot(particlePot); |
| 475 |
|
break; |
| 476 |
|
} |
| 477 |
|
default: { |