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root/group/trunk/OOPSE/libmdtools/DumpWriter.cpp
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Comparing trunk/OOPSE/libmdtools/DumpWriter.cpp (file contents):
Revision 586 by mmeineke, Wed Jul 9 22:14:06 2003 UTC vs.
Revision 590 by mmeineke, Thu Jul 10 22:15:53 2003 UTC

# Line 82 | Line 82 | void DumpWriter::writeDump( double currentTime ){
82    outFile << nAtoms << "\n";
83      
84    outFile << currentTime << ";\t"
85 <          << entry_plug->Hmat[0] << "\t"
86 <          << entry_plug->Hmat[1] << "\t"
87 <          << entry_plug->Hmat[2] << ";\t"
85 >          << entry_plug->Hmat[0][0] << "\t"
86 >          << entry_plug->Hmat[1][0] << "\t"
87 >          << entry_plug->Hmat[2][0] << ";\t"
88  
89 <          << entry_plug->Hmat[3] << "\t"
90 <          << entry_plug->Hmat[4] << "\t"
91 <          << entry_plug->Hmat[5] << ";\t"
89 >          << entry_plug->Hmat[0][1] << "\t"
90 >          << entry_plug->Hmat[1][1] << "\t"
91 >          << entry_plug->Hmat[2][1] << ";\t"
92  
93 <          << entry_plug->Hmat[6] << "\t"
94 <          << entry_plug->Hmat[7] << "\t"
95 <          << entry_plug->Hmat[8] << ";\n";
93 >          << entry_plug->Hmat[0][2] << "\t"
94 >          << entry_plug->Hmat[1][2] << "\t"
95 >          << entry_plug->Hmat[2][2] << ";\n";
96      
97    for( i=0; i<nAtoms; i++ ){
98        
# Line 371 | Line 371 | void DumpWriter::writeFinal(double finalTime){
371    finalOut << nAtoms << "\n";
372      
373    finalOut << finalTime << "\t"
374 <           << entry_plug->Hmat[0] << "\t"
375 <           << entry_plug->Hmat[1] << "\t"
376 <           << entry_plug->Hmat[2] << "\t"
374 >           << entry_plug->Hmat[0][0] << "\t"
375 >           << entry_plug->Hmat[1][0] << "\t"
376 >           << entry_plug->Hmat[2][0] << "\t"
377      
378 <           << entry_plug->Hmat[3] << "\t"
379 <           << entry_plug->Hmat[4] << "\t"
380 <           << entry_plug->Hmat[5] << "\t"
378 >           << entry_plug->Hmat[0][1] << "\t"
379 >           << entry_plug->Hmat[1][1] << "\t"
380 >           << entry_plug->Hmat[2][1] << "\t"
381      
382 <           << entry_plug->Hmat[6] << "\t"
383 <           << entry_plug->Hmat[7] << "\t"
384 <           << entry_plug->Hmat[8] << "\n";
382 >           << entry_plug->Hmat[0][2] << "\t"
383 >           << entry_plug->Hmat[1][2] << "\t"
384 >           << entry_plug->Hmat[2][2] << "\n";
385    
386    for( i=0; i<nAtoms; i++ ){
387        

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