--- branches/development/src/io/DumpReader.cpp 2010/07/09 23:08:25 1465 +++ branches/development/src/io/DumpReader.cpp 2012/05/19 18:12:46 1714 @@ -36,7 +36,8 @@ * [1] Meineke, et al., J. Comp. Chem. 26, 252-271 (2005). * [2] Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006). * [3] Sun, Lin & Gezelter, J. Chem. Phys. 128, 24107 (2008). - * [4] Vardeman & Gezelter, in progress (2009). + * [4] Kuang & Gezelter, J. Chem. Phys. 133, 164101 (2010). + * [5] Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011). */ #define _LARGEFILE_SOURCE64 @@ -464,8 +465,45 @@ namespace OpenMD { torque[1] = tokenizer.nextTokenAsDouble(); torque[2] = tokenizer.nextTokenAsDouble(); integrableObject->setTrq(torque); + break; + } + case 'u' : { + + RealType particlePot; + particlePot = tokenizer.nextTokenAsDouble(); + integrableObject->setParticlePot(particlePot); + break; + } + case 'c' : { + + RealType flucQPos; + flucQPos = tokenizer.nextTokenAsDouble(); + integrableObject->setFlucQPos(flucQPos); + break; + } + case 'w' : { + + RealType flucQVel; + flucQVel = tokenizer.nextTokenAsDouble(); + integrableObject->setFlucQVel(flucQVel); break; } + case 'g' : { + + RealType flucQFrc; + flucQFrc = tokenizer.nextTokenAsDouble(); + integrableObject->setFlucQFrc(flucQFrc); + break; + } + case 'e' : { + + Vector3d eField; + eField[0] = tokenizer.nextTokenAsDouble(); + eField[1] = tokenizer.nextTokenAsDouble(); + eField[2] = tokenizer.nextTokenAsDouble(); + integrableObject->setElectricField(eField); + break; + } default: { sprintf(painCave.errMsg, "DumpReader Error: %s is an unrecognized type\n", type.c_str());