# | Line 36 | Line 36 | |
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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 | |
# | Line 464 | Line 465 | namespace OpenMD { | |
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: { |
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