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root/group/trunk/OOPSE/libmdtools/StatWriter.cpp
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Comparing trunk/OOPSE/libmdtools/StatWriter.cpp (file contents):
Revision 378 by mmeineke, Fri Mar 21 17:42:12 2003 UTC vs.
Revision 468 by gezelter, Mon Apr 7 16:56:38 2003 UTC

# Line 30 | Line 30 | StatWriter::StatWriter( SimInfo* the_entry_plug ){
30      }
31      
32      //outFile.setf( ios::scientific );
33 <    outFile << "#time(fs)\ttot_E\tpotential\tkinetic\ttemperature\n";
33 >    outFile << "#time(fs)\ttot_E\tpotential\tkinetic\ttemperature\tpressure\n";
34      
35  
36  
# Line 61 | Line 61 | void StatWriter::writeStat( double currentTime ){
61  
62   void StatWriter::writeStat( double currentTime ){
63  
64 <  double totE, potE, kinE, temp;
64 >  const double p_convert =  1.63882576e8;
65 >  double totE, potE, kinE, temp, press;
66  
67    totE = tStats->getTotalE();
68    potE = tStats->getPotential();
69    kinE = tStats->getKinetic();
70    temp = tStats->getTemperature();
71 +  press = tStats->getPressure()*p_convert;
72  
73   #ifdef IS_MPI
74    if(worldRank == 0 ){
# Line 78 | Line 80 | void StatWriter::writeStat( double currentTime ){
80        << totE << "\t"
81        << potE << "\t"
82        << kinE << "\t"
83 <      << temp << "\n";
83 >      << temp << "\t"
84 >      << press << "\n";
85      outFile.flush();
86  
87   #ifdef IS_MPI

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