--- trunk/src/integrators/NVE.cpp 2005/04/15 22:04:00 507 +++ trunk/src/integrators/NVE.cpp 2008/03/11 21:06:55 1231 @@ -68,7 +68,7 @@ namespace oopse { Vector3d frc; Vector3d Tb; Vector3d ji; - double mass; + RealType mass; for (mol = info_->beginMolecule(i); mol != NULL; mol = info_->nextMolecule(i)) { for (integrableObject = mol->beginIntegrableObject(j); integrableObject != NULL; @@ -122,7 +122,7 @@ namespace oopse { Vector3d frc; Vector3d Tb; Vector3d ji; - double mass; + RealType mass; for (mol = info_->beginMolecule(i); mol != NULL; mol = info_->nextMolecule(i)) { for (integrableObject = mol->beginIntegrableObject(j); integrableObject != NULL; @@ -135,7 +135,7 @@ namespace oopse { // velocity half step vel += (dt2 /mass * OOPSEConstant::energyConvert) * frc; - integrableObject->setVel(vel); + integrableObject->setVel(vel); if (integrableObject->isDirectional()){ @@ -162,7 +162,7 @@ namespace oopse { } - double NVE::calcConservedQuantity() { + RealType NVE::calcConservedQuantity() { return thermo.getTotalE(); }