--- trunk/OOPSE/libmdtools/StatWriter.cpp 2003/09/15 16:52:02 763 +++ trunk/OOPSE/libmdtools/StatWriter.cpp 2004/03/02 20:32:40 1078 @@ -1,6 +1,7 @@ +#define _LARGEFILE_SOURCE64 #define _FILE_OFFSET_BITS 64 -#include +#include #include #include @@ -32,7 +33,7 @@ StatWriter::StatWriter( SimInfo* the_entry_plug ){ } //outFile.setf( ios::scientific ); - outFile << "#time(fs)\ttot_E\tpotential\tkinetic\ttemperature\tpressure\tvolume\tenthalpy\tconserved quantity\n"; + outFile << "#time(fs)\ttot_E\tpotential\tkinetic\ttemperature\tpressure\tvolume\tconserved quantity\n"; @@ -63,7 +64,7 @@ void StatWriter::writeStat( double currentTime ){ void StatWriter::writeStat( double currentTime ){ - double totE, potE, kinE, temp, press, vol, enthalpy; + double totE, potE, kinE, temp, press, vol; double conservedQuantity; totE = tStats->getTotalE(); @@ -72,7 +73,6 @@ void StatWriter::writeStat( double currentTime ){ temp = tStats->getTemperature(); press = tStats->getPressure(); vol = tStats->getVolume(); - enthalpy = tStats->getEnthalpy(); conservedQuantity = entry_plug->the_integrator->getConservedQuantity(); #ifdef IS_MPI if(worldRank == 0 ){ @@ -87,7 +87,6 @@ void StatWriter::writeStat( double currentTime ){ << temp << "\t" << press << "\t" << vol << "\t" - << enthalpy << "\t" << conservedQuantity << "\n"; outFile.flush();