--- trunk/OOPSE/libmdtools/Integrator.cpp 2004/05/13 15:00:59 1177 +++ trunk/OOPSE/libmdtools/Integrator.cpp 2004/05/13 21:08:05 1178 @@ -160,7 +160,7 @@ template void Integrator::integrate(voi double thermalTime = info->thermalTime; double resetTime = info->resetTime; - + double difference; double currSample; double currThermal; double currStatus; @@ -215,7 +215,8 @@ template void Integrator::integrate(voi #endif // is_mpi while (info->getTime() < runTime && !stopIntegrator()){ - if ((info->getTime() + dt) >= currStatus){ + difference = info->getTime() + dt - currStatus; + if (difference > 0 || fabs(difference) < 1e-4 ){ calcPot = 1; calcStress = 1; }