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: { |