--- branches/new_design/OOPSE-2.0/src/integrators/NVT.cpp 2004/12/09 15:45:21 1870 +++ branches/new_design/OOPSE-2.0/src/integrators/NVT.cpp 2004/12/09 16:22:42 1871 @@ -89,11 +89,9 @@ void NVT::moveA() { if (integrableObject->isDirectional()) { - // get and convert the torque to body frame + //convert the torque to body frame + Tb = integrableObject->lab2Body(integrableObject->getTrq()); - Tb = integrableObject->getTrq(); - integrableObject->lab2Body(Tb); - // get the angular momentum, and propagate a half step ji = integrableObject->getJ(); @@ -184,8 +182,7 @@ void NVT::moveB() { // get and convert the torque to body frame - Tb = integrableObject->getTrq(); - integrableObject->lab2Body(Tb); + Tb = integrableObject->lab2Body(integrableObject->getTrq()); //for(j = 0; j < 3; j++) // ji[j] = oldJi_[3*i + j] + dt2 * (Tb[j] * OOPSEConstant::energyConvert - oldJi_[3*i+j]*chi);