# | 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 471 | Line 472 | namespace OpenMD { | |
472 | RealType particlePot; | |
473 | particlePot = tokenizer.nextTokenAsDouble(); | |
474 | integrableObject->setParticlePot(particlePot); | |
475 | + | break; |
476 | + | } |
477 | + | case 'c' : { |
478 | + | |
479 | + | RealType flucQPos; |
480 | + | flucQPos = tokenizer.nextTokenAsDouble(); |
481 | + | integrableObject->setFlucQPos(flucQPos); |
482 | break; | |
483 | } | |
484 | + | case 'w' : { |
485 | + | |
486 | + | RealType flucQVel; |
487 | + | flucQVel = tokenizer.nextTokenAsDouble(); |
488 | + | integrableObject->setFlucQVel(flucQVel); |
489 | + | break; |
490 | + | } |
491 | + | case 'g' : { |
492 | + | |
493 | + | RealType flucQFrc; |
494 | + | flucQFrc = tokenizer.nextTokenAsDouble(); |
495 | + | integrableObject->setFlucQFrc(flucQFrc); |
496 | + | break; |
497 | + | } |
498 | + | case 'e' : { |
499 | + | |
500 | + | Vector3d eField; |
501 | + | eField[0] = tokenizer.nextTokenAsDouble(); |
502 | + | eField[1] = tokenizer.nextTokenAsDouble(); |
503 | + | eField[2] = tokenizer.nextTokenAsDouble(); |
504 | + | integrableObject->setElectricField(eField); |
505 | + | break; |
506 | + | } |
507 | default: { | |
508 | sprintf(painCave.errMsg, | |
509 | "DumpReader Error: %s is an unrecognized type\n", type.c_str()); |
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