--- trunk/OOPSE/libmdtools/Integrator.cpp 2003/12/22 21:27:04 892 +++ trunk/OOPSE/libmdtools/Integrator.cpp 2004/02/06 21:37:59 1035 @@ -135,7 +135,7 @@ template void Integrator::checkConstrai } - // save oldAtoms to check for lode balanceing later on. + // save oldAtoms to check for lode balancing later on. oldAtoms = nAtoms; @@ -180,6 +180,9 @@ template void Integrator::integrate(voi calcForce(1, 1); + //temp test + tStats->getPotential(); + if (nConstrained){ preMove(); constrainA(); @@ -263,10 +266,6 @@ template void Integrator::integrate(voi #endif // is_mpi } - - // write the last frame - dumpOut->writeDump(info->getTime()); - delete dumpOut; delete statOut; }