# | Line 8 | Line 8 | StatWriter::StatWriter( SimInfo* the_entry_plug ){ | |
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8 | ||
9 | StatWriter::StatWriter( SimInfo* the_entry_plug ){ | |
10 | ||
11 | + | entry_plug = the_entry_plug; |
12 | + | |
13 | #ifdef IS_MPI | |
14 | if(worldRank == 0 ){ | |
15 | #endif // is_mpi | |
16 | ||
15 | – | entry_plug = the_entry_plug; |
16 | – | |
17 | strcpy( outName, entry_plug->statusName ); | |
18 | ||
19 | std::cerr << "Opening " << outName << " for stat\n"; | |
# | Line 32 | Line 32 | StatWriter::StatWriter( SimInfo* the_entry_plug ){ | |
32 | //outFile.setf( ios::scientific ); | |
33 | outFile << "#time(fs)\ttot_E\tpotential\tkinetic\ttemperature\n"; | |
34 | ||
35 | < | tStats = new Thermo( entry_plug ); |
35 | > | |
36 | ||
37 | #ifdef IS_MPI | |
38 | } | |
39 | + | |
40 | + | sprintf( checkPointMsg, |
41 | + | "Sucessfully opened output file for stating.\n"); |
42 | + | MPIcheckPoint(); |
43 | #endif // is_mpi | |
44 | + | |
45 | + | tStats = new Thermo( entry_plug ); |
46 | } | |
47 | ||
48 | StatWriter::~StatWriter( ){ | |
# | Line 55 | Line 61 | void StatWriter::writeStat( double currentTime ){ | |
61 | ||
62 | void StatWriter::writeStat( double currentTime ){ | |
63 | ||
64 | + | double totE, potE, kinE, temp; |
65 | + | |
66 | + | totE = tStats->getTotalE(); |
67 | + | potE = tStats->getPotential(); |
68 | + | kinE = tStats->getKinetic(); |
69 | + | temp = tStats->getTemperature(); |
70 | + | |
71 | #ifdef IS_MPI | |
72 | if(worldRank == 0 ){ | |
73 | #endif // is_mpi | |
# | Line 62 | Line 75 | void StatWriter::writeStat( double currentTime ){ | |
75 | outFile.precision(8); | |
76 | outFile | |
77 | << currentTime << "\t" | |
78 | < | << tStats->getTotalE() << "\t" |
79 | < | << tStats->getPotential() << "\t" |
80 | < | << tStats->getKinetic() << "\t" |
81 | < | << tStats->getTemperature() << "\n"; |
78 | > | << totE << "\t" |
79 | > | << potE << "\t" |
80 | > | << kinE << "\t" |
81 | > | << temp << "\n"; |
82 | outFile.flush(); | |
83 | ||
84 | #ifdef IS_MPI |
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