--- trunk/OOPSE-4/src/integrators/VelocityVerletIntegrator.cpp 2005/01/12 22:41:40 1930 +++ trunk/OOPSE-4/src/integrators/VelocityVerletIntegrator.cpp 2005/01/26 15:26:47 1960 @@ -49,6 +49,7 @@ #include "integrators/VelocityVerletIntegrator.hpp" #include "integrators/DLM.hpp" +#include "utils/StringUtils.hpp" namespace oopse { VelocityVerletIntegrator::VelocityVerletIntegrator(SimInfo *info) : Integrator(info), rotAlgo(NULL) { @@ -86,10 +87,12 @@ void VelocityVerletIntegrator::initialize(){ } dumpWriter = createDumpWriter(); + eorWriter = createEorWriter(); statWriter = createStatWriter(); dumpWriter->writeDump(); - + eorWriter->writeDump(); + //save statistics, before writeStat, we must save statistics thermo.saveStat(); saveConservedQuantity(); @@ -150,6 +153,7 @@ void VelocityVerletIntegrator::postStep() { if (currentSnapshot_->getTime() >= currSample) { dumpWriter->writeDump(); + eorWriter->writeDump(); currSample += sampleTime; } @@ -171,11 +175,14 @@ void VelocityVerletIntegrator::finalize() { void VelocityVerletIntegrator::finalize() { dumpWriter->writeDump(); + eorWriter->writeDump(); delete dumpWriter; + delete eorWriter; delete statWriter; dumpWriter = NULL; + eorWriter = NULL; statWriter = NULL; } @@ -197,6 +204,10 @@ StatWriter* VelocityVerletIntegrator::createStatWriter return new DumpWriter(info_, info_->getDumpFileName()); } +DumpWriter* VelocityVerletIntegrator::createEorWriter() { + return new DumpWriter(info_, getPrefix(info_->getDumpFileName()) + ".eor"); +} + StatWriter* VelocityVerletIntegrator::createStatWriter() { return new StatWriter(info_->getStatFileName()); }