# | Line 30 | Line 30 | StatWriter::StatWriter( SimInfo* the_entry_plug ){ | |
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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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