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mmeineke |
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#include <cstring> |
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#include <iostream> |
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#include <fstream> |
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#include "ReadWrite.hpp" |
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mmeineke |
162 |
#include "simError.h" |
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mmeineke |
10 |
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StatWriter::StatWriter( SimInfo* the_entry_plug ){ |
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chuckv |
261 |
entry_plug = the_entry_plug; |
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mmeineke |
184 |
#ifdef IS_MPI |
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mmeineke |
189 |
if(worldRank == 0 ){ |
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mmeineke |
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#endif // is_mpi |
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strcpy( outName, entry_plug->statusName ); |
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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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chuckv |
261 |
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mmeineke |
184 |
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#ifdef IS_MPI |
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mmeineke |
10 |
} |
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chuckv |
260 |
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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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mmeineke |
184 |
#endif // is_mpi |
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chuckv |
261 |
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tStats = new Thermo( entry_plug ); |
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mmeineke |
10 |
} |
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StatWriter::~StatWriter( ){ |
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mmeineke |
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#ifdef IS_MPI |
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mmeineke |
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if(worldRank == 0 ){ |
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mmeineke |
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#endif // is_mpi |
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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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mmeineke |
10 |
} |
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void StatWriter::writeStat( double currentTime ){ |
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chuckv |
261 |
double totE, potE, kinE, temp; |
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totE = tStats->getTotalE(); |
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potE = tStats->getPotential(); |
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kinE = tStats->getKinetic(); |
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temp = tStats->getTemperature(); |
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mmeineke |
184 |
#ifdef IS_MPI |
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mmeineke |
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if(worldRank == 0 ){ |
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mmeineke |
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#endif // is_mpi |
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outFile.precision(8); |
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outFile |
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<< currentTime << "\t" |
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chuckv |
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<< totE << "\t" |
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<< potE << "\t" |
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<< kinE << "\t" |
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<< temp << "\n"; |
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mmeineke |
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outFile.flush(); |
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#ifdef IS_MPI |
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} |
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#endif // is_mpi |
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mmeineke |
10 |
} |
