--- trunk/OOPSE/libmdtools/StatWriter.cpp 2003/04/08 14:34:30 477 +++ trunk/OOPSE/libmdtools/StatWriter.cpp 2003/04/09 13:59:35 484 @@ -16,7 +16,7 @@ StatWriter::StatWriter( SimInfo* the_entry_plug ){ strcpy( outName, entry_plug->statusName ); - std::cerr << "Opening " << outName << " for stat\n"; + //std::cerr << "Opening " << outName << " for stat\n"; outFile.open(outName, ios::out | ios::trunc ); @@ -30,7 +30,7 @@ StatWriter::StatWriter( SimInfo* the_entry_plug ){ } //outFile.setf( ios::scientific ); - outFile << "#time(fs)\ttot_E\tpotential\tkinetic\ttemperature\tpressure\n"; + outFile << "#time(fs)\ttot_E\tpotential\tkinetic\ttemperature\tpressure\tvolume\tenthalpy\n"; @@ -61,13 +61,15 @@ void StatWriter::writeStat( double currentTime ){ void StatWriter::writeStat( double currentTime ){ - double totE, potE, kinE, temp, press; + double totE, potE, kinE, temp, press, vol, enthalpy; totE = tStats->getTotalE(); potE = tStats->getPotential(); kinE = tStats->getKinetic(); temp = tStats->getTemperature(); press = tStats->getPressure(); + vol = tStats->getVolume(); + enthalpy = tStats->getEnthalpy(); #ifdef IS_MPI if(worldRank == 0 ){ @@ -80,7 +82,10 @@ void StatWriter::writeStat( double currentTime ){ << potE << "\t" << kinE << "\t" << temp << "\t" - << press << "\n"; + << press << "\t" + << vol << "\t" + << enthalpy << "\n"; + outFile.flush(); #ifdef IS_MPI