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#include <fstream> |
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#include "ReadWrite.hpp" |
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#include "simError.h" |
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StatWriter::StatWriter( SimInfo* the_entry_plug ){ |
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entry_plug = the_entry_plug; |
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strcpy( outName, entry_plug->statusName ); |
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outFile.open(outName, ios::out | ios::trunc ); |
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if( !outFile ){ |
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#ifdef IS_MPI |
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if(worldRank == 0 ){ |
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#endif // is_mpi |
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|
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strcpy( outName, entry_plug->statusName ); |
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cerr << "Could not open \"" << outName << "\" for stat output.\n"; |
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exit(8); |
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std::cerr << "Opening " << outName << " for stat\n"; |
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outFile.open(outName, ios::out | ios::trunc ); |
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if( !outFile ){ |
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sprintf( painCave.errMsg, |
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"Could not open \"%s\" for stat output.\n", |
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outName); |
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painCave.isFatal = 1; |
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simError(); |
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} |
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//outFile.setf( ios::scientific ); |
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outFile << "#time(fs)\ttot_E\tpotential\tkinetic\ttemperature\n"; |
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#ifdef IS_MPI |
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} |
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//outFile.setf( ios::scientific ); |
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outFile << "#time(fs)\ttot_E\tpotential\tkinetic\ttemperature\n"; |
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sprintf( checkPointMsg, |
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"Sucessfully opened output file for stating.\n"); |
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MPIcheckPoint(); |
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#endif // is_mpi |
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|
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tStats = new Thermo( entry_plug ); |
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} |
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StatWriter::~StatWriter( ){ |
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outFile.close(); |
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delete tStats; |
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#ifdef IS_MPI |
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if(worldRank == 0 ){ |
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#endif // is_mpi |
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|
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outFile.close(); |
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delete tStats; |
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#ifdef IS_MPI |
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} |
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#endif // is_mpi |
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} |
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void StatWriter::writeStat( double currentTime ){ |
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outFile.precision(8); |
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outFile |
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<< currentTime << "\t" |
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<< tStats->getTotalE() << "\t" |
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<< tStats->getPotential() << "\t" |
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<< tStats->getKinetic() << "\t" |
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<< tStats->getTemperature() << "\n"; |
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outFile.flush(); |
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double totE, potE, kinE, temp; |
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| 66 |
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totE = tStats->getTotalE(); |
| 67 |
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potE = tStats->getPotential(); |
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kinE = tStats->getKinetic(); |
| 69 |
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temp = tStats->getTemperature(); |
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| 71 |
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#ifdef IS_MPI |
| 72 |
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if(worldRank == 0 ){ |
| 73 |
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#endif // is_mpi |
| 74 |
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|
| 75 |
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outFile.precision(8); |
| 76 |
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outFile |
| 77 |
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<< currentTime << "\t" |
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<< totE << "\t" |
| 79 |
> |
<< potE << "\t" |
| 80 |
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<< kinE << "\t" |
| 81 |
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<< temp << "\n"; |
| 82 |
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outFile.flush(); |
| 83 |
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|
| 84 |
> |
#ifdef IS_MPI |
| 85 |
> |
} |
| 86 |
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#endif // is_mpi |
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} |
