--- trunk/OOPSE/libmdtools/Integrator.cpp 2003/07/21 16:23:10 641 +++ trunk/OOPSE/libmdtools/Integrator.cpp 2003/07/21 21:27:40 643 @@ -196,8 +196,8 @@ void Integrator::integrate( void ){ currThermal = thermalTime; currStatus = statusTime; - dumpOut->writeDump( info->currTime ); - statOut->writeStat( info->currTime ); + dumpOut->writeDump( info->getTime() ); + statOut->writeStat( info->getTime() ); readyCheck(); @@ -207,32 +207,31 @@ void Integrator::integrate( void ){ MPIcheckPoint(); #endif // is_mpi - while( info->currTime < runTime ){ + while( info->getTime() < runTime ){ - if( (info->currTime+dt) >= currStatus ){ + if( (info->getTime()+dt) >= currStatus ){ calcPot = 1; calcStress = 1; } integrateStep( calcPot, calcStress ); - info->currTime += dt; - info->setTime(info->currTime); + info->incrTime(dt); if( info->setTemp ){ - if( info->currTime >= currThermal ){ + if( info->getTime() >= currThermal ){ tStats->velocitize(); currThermal += thermalTime; } } - if( info->currTime >= currSample ){ - dumpOut->writeDump( info->currTime ); + if( info->getTime() >= currSample ){ + dumpOut->writeDump( info->getTime() ); currSample += sampleTime; } - if( info->currTime >= currStatus ){ - statOut->writeStat( info->currTime ); + if( info->getTime() >= currStatus ){ + statOut->writeStat( info->getTime() ); calcPot = 0; calcStress = 0; currStatus += statusTime; @@ -246,7 +245,7 @@ void Integrator::integrate( void ){ } - dumpOut->writeFinal(info->currTime); + dumpOut->writeFinal(info->getTime()); delete dumpOut; delete statOut;