--- trunk/OOPSE/libmdtools/Integrator.cpp 2004/05/20 20:24:07 1180 +++ trunk/OOPSE/libmdtools/Integrator.cpp 2004/05/22 18:16:18 1187 @@ -46,8 +46,6 @@ template Integrator::Integrator(SimInfo checkConstraints(); - for (i=0; i Integrator::~Integrator(){ @@ -318,10 +316,8 @@ template void Integrator::integrateStep strcpy(checkPointMsg, "Succesful moveA\n"); MPIcheckPoint(); #endif // is_mpi - // calc forces - calcForce(calcPot, calcStress); #ifdef IS_MPI @@ -356,6 +352,7 @@ template void Integrator::moveA(void){ double Tb[3], ji[3]; double vel[3], pos[3], frc[3]; double mass; + double omega; for (i = 0; i < integrableObjects.size() ; i++){ integrableObjects[i]->getVel(vel); @@ -739,6 +736,7 @@ template void Integrator::rotationPropa // rotate about the z-axis angle = dt * ji[2] / I[2][2]; + sd->addZangle(angle); this->rotate( 0, 1, angle, ji, A); // rotate about the y-axis