--- trunk/OOPSE/libmdtools/StatWriter.cpp 2003/08/26 20:12:51 723 +++ trunk/OOPSE/libmdtools/StatWriter.cpp 2003/09/15 16:52:02 763 @@ -32,7 +32,7 @@ StatWriter::StatWriter( SimInfo* the_entry_plug ){ } //outFile.setf( ios::scientific ); - outFile << "#time(fs)\ttot_E\tpotential\tkinetic\ttemperature\tpressure\tvolume\tenthalpy\n"; + outFile << "#time(fs)\ttot_E\tpotential\tkinetic\ttemperature\tpressure\tvolume\tenthalpy\tconserved quantity\n"; @@ -64,6 +64,7 @@ void StatWriter::writeStat( double currentTime ){ void StatWriter::writeStat( double currentTime ){ double totE, potE, kinE, temp, press, vol, enthalpy; + double conservedQuantity; totE = tStats->getTotalE(); potE = tStats->getPotential(); @@ -72,7 +73,7 @@ void StatWriter::writeStat( double currentTime ){ press = tStats->getPressure(); vol = tStats->getVolume(); enthalpy = tStats->getEnthalpy(); - + conservedQuantity = entry_plug->the_integrator->getConservedQuantity(); #ifdef IS_MPI if(worldRank == 0 ){ #endif // is_mpi @@ -86,7 +87,8 @@ void StatWriter::writeStat( double currentTime ){ << temp << "\t" << press << "\t" << vol << "\t" - << enthalpy << "\n"; + << enthalpy << "\t" + << conservedQuantity << "\n"; outFile.flush();