--- trunk/OOPSE/libmdtools/StatWriter.cpp 2003/03/21 17:42:12 378 +++ trunk/OOPSE/libmdtools/StatWriter.cpp 2003/04/07 16:56:38 468 @@ -30,7 +30,7 @@ StatWriter::StatWriter( SimInfo* the_entry_plug ){ } //outFile.setf( ios::scientific ); - outFile << "#time(fs)\ttot_E\tpotential\tkinetic\ttemperature\n"; + outFile << "#time(fs)\ttot_E\tpotential\tkinetic\ttemperature\tpressure\n"; @@ -61,12 +61,14 @@ void StatWriter::writeStat( double currentTime ){ void StatWriter::writeStat( double currentTime ){ - double totE, potE, kinE, temp; + const double p_convert = 1.63882576e8; + double totE, potE, kinE, temp, press; totE = tStats->getTotalE(); potE = tStats->getPotential(); kinE = tStats->getKinetic(); temp = tStats->getTemperature(); + press = tStats->getPressure()*p_convert; #ifdef IS_MPI if(worldRank == 0 ){ @@ -78,7 +80,8 @@ void StatWriter::writeStat( double currentTime ){ << totE << "\t" << potE << "\t" << kinE << "\t" - << temp << "\n"; + << temp << "\t" + << press << "\n"; outFile.flush(); #ifdef IS_MPI