--- trunk/OOPSE/libmdtools/Integrator.cpp 2003/09/04 21:48:35 746 +++ trunk/OOPSE/libmdtools/Integrator.cpp 2003/09/15 16:52:02 763 @@ -356,7 +356,6 @@ template void Integrator::moveA(void){ // rotate about the x-axis angle = dt2 * ji[0] / I[0][0]; this->rotate(1, 2, angle, ji, A); - dAtom->setJ(ji); dAtom->setA(A); \ No newline at end of file @@ -754,3 +753,7 @@ template void Integrator::thermalize(){ template void Integrator::thermalize(){ tStats->velocitize(); } + +template double Integrator::getConservedQuantity(void){ + return tStats->getTotalE(); +} \ No newline at end of file