--- trunk/OOPSE/libmdtools/DumpWriter.cpp 2003/07/10 22:15:53 590 +++ trunk/OOPSE/libmdtools/DumpWriter.cpp 2003/07/11 01:15:28 591 @@ -147,19 +147,19 @@ void DumpWriter::writeDump( double currentTime ){ if( worldRank == 0 ){ outFile << mpiSim->getTotAtoms() << "\n"; - outFile << currentTime << "\t" - << entry_plug->Hmat[0] << "\t" - << entry_plug->Hmat[1] << "\t" - << entry_plug->Hmat[2] << "\t" + outFile << currentTime << ";\t" + << entry_plug->Hmat[0][0] << "\t" + << entry_plug->Hmat[1][0] << "\t" + << entry_plug->Hmat[2][0] << ";\t" - << entry_plug->Hmat[3] << "\t" - << entry_plug->Hmat[4] << "\t" - << entry_plug->Hmat[5] << "\t" + << entry_plug->Hmat[0][1] << "\t" + << entry_plug->Hmat[1][1] << "\t" + << entry_plug->Hmat[2][1] << ";\t" - << entry_plug->Hmat[6] << "\t" - << entry_plug->Hmat[7] << "\t" - << entry_plug->Hmat[8] << "\n"; - ; + << entry_plug->Hmat[0][2] << "\t" + << entry_plug->Hmat[1][2] << "\t" + << entry_plug->Hmat[2][2] << ";\n"; + outFile.flush(); for (i = 0 ; i < mpiSim->getTotAtoms(); i++ ) { // Get the Node number which has this atom; @@ -370,18 +370,18 @@ void DumpWriter::writeFinal(double finalTime){ finalOut << nAtoms << "\n"; - finalOut << finalTime << "\t" + finalOut << finalTime << ";\t" << entry_plug->Hmat[0][0] << "\t" << entry_plug->Hmat[1][0] << "\t" - << entry_plug->Hmat[2][0] << "\t" + << entry_plug->Hmat[2][0] << ";\t" << entry_plug->Hmat[0][1] << "\t" << entry_plug->Hmat[1][1] << "\t" - << entry_plug->Hmat[2][1] << "\t" + << entry_plug->Hmat[2][1] << ";\t" << entry_plug->Hmat[0][2] << "\t" << entry_plug->Hmat[1][2] << "\t" - << entry_plug->Hmat[2][2] << "\n"; + << entry_plug->Hmat[2][2] << ";\n"; for( i=0; igetTotAtoms() << "\n"; - finalOut << finalTime << "\t" - << entry_plug->Hmat[0] << "\t" - << entry_plug->Hmat[1] << "\t" - << entry_plug->Hmat[2] << "\t" - - << entry_plug->Hmat[3] << "\t" - << entry_plug->Hmat[4] << "\t" - << entry_plug->Hmat[5] << "\t" + finalOut << finalTime << ";\t" + << entry_plug->Hmat[0][0] << "\t" + << entry_plug->Hmat[1][0] << "\t" + << entry_plug->Hmat[2][0] << ";\t" - << entry_plug->Hmat[6] << "\t" - << entry_plug->Hmat[7] << "\t" - << entry_plug->Hmat[8] << "\n"; + << entry_plug->Hmat[0][1] << "\t" + << entry_plug->Hmat[1][1] << "\t" + << entry_plug->Hmat[2][1] << ";\t" + + << entry_plug->Hmat[0][2] << "\t" + << entry_plug->Hmat[1][2] << "\t" + << entry_plug->Hmat[2][2] << ";\n"; for (i = 0 ; i < mpiSim->getTotAtoms(); i++ ) { // Get the Node number which has this molecule: