# | Line 16 | Line 16 | StatWriter::StatWriter( SimInfo* the_entry_plug ){ | |
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16 | ||
17 | strcpy( outName, entry_plug->statusName ); | |
18 | ||
19 | < | std::cerr << "Opening " << outName << " for stat\n"; |
19 | > | //std::cerr << "Opening " << outName << " for stat\n"; |
20 | ||
21 | outFile.open(outName, ios::out | ios::trunc ); | |
22 | ||
# | 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\tvolume\tenthalpy\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 | > | double totE, potE, kinE, temp, press, vol, enthalpy; |
65 | ||
66 | totE = tStats->getTotalE(); | |
67 | potE = tStats->getPotential(); | |
68 | kinE = tStats->getKinetic(); | |
69 | temp = tStats->getTemperature(); | |
70 | + | press = tStats->getPressure(); |
71 | + | vol = tStats->getVolume(); |
72 | + | enthalpy = tStats->getEnthalpy(); |
73 | ||
74 | #ifdef IS_MPI | |
75 | if(worldRank == 0 ){ | |
# | Line 78 | Line 81 | void StatWriter::writeStat( double currentTime ){ | |
81 | << totE << "\t" | |
82 | << potE << "\t" | |
83 | << kinE << "\t" | |
84 | < | << temp << "\n"; |
84 | > | << temp << "\t" |
85 | > | << press << "\t" |
86 | > | << vol << "\t" |
87 | > | << enthalpy << "\n"; |
88 | > | |
89 | outFile.flush(); | |
90 | ||
91 | #ifdef IS_MPI |
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