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root/OpenMD/trunk/src/io/RestReader.cpp
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Comparing trunk/src/io/RestReader.cpp (file contents):
Revision 507 by gezelter, Fri Apr 15 22:04:00 2005 UTC vs.
Revision 985 by chrisfen, Wed Jun 7 18:05:19 2006 UTC

# Line 366 | Line 366 | namespace oopse {
366      
367      char *foo; // the pointer to the current string token
368      
369 <    double pos[3];        // position place holders
370 <    double q[4];          // the quaternions
371 <    double RfromQ[3][3];  // the rotation matrix
372 <    double normalize;     // to normalize the reference unit vector
373 <    double uX, uY, uZ;    // reference unit vector place holders
374 <    double uselessToken;
369 >    RealType pos[3];        // position place holders
370 >    RealType q[4];          // the quaternions
371 >    RealType RfromQ[3][3];  // the rotation matrix
372 >    RealType normalize;     // to normalize the reference unit vector
373 >    RealType uX, uY, uZ;    // reference unit vector place holders
374 >    RealType uselessToken;
375      StringTokenizer tokenizer(readLine);
376      int nTokens;
377      
# Line 492 | Line 492 | namespace oopse {
492      char *parseErr;
493      
494      std::vector<StuntDouble*> vecParticles;
495 <    std::vector<double> tempZangs;
495 >    std::vector<RealType> tempZangs;
496        
497      inAngFileName = info_->getRestFileName();
498      
# Line 600 | Line 600 | namespace oopse {
600      int index;    
601  
602      int nCurObj;
603 <    double angleTranfer;
603 >    RealType angleTranfer;
604      
605      nTotObjs = info_->getNGlobalIntegrableObjects();
606      haveError = 0;
# Line 644 | Line 644 | namespace oopse {
644          // Get the Node number which has this atom
645          which_node = info_->getMolToProc(i);
646          
647 <        if (worldRank == masterNode) {
647 >        if (which_node == masterNode) {
648            mol = info_->getMoleculeByGlobalIndex(i);
649 <          
649 >
650            if(mol == NULL) {
651              strcpy(painCave.errMsg, "Molecule not found on node 0!");
652              haveError = 1;
653              simError();
654            }
655 <          
655 >
656            for (integrableObject = mol->beginIntegrableObject(ii);
657                 integrableObject != NULL;
658                 integrableObject = mol->nextIntegrableObject(ii)){
# Line 669 | Line 669 | namespace oopse {
669            
670            for(j=0; j < nCurObj; j++){            
671              angleTransfer = tempZangs[index];
672 <            MPI_Send(&angleTransfer, 1, MPI_DOUBLE, which_node,
672 >            MPI_Send(&angleTransfer, 1, MPI_REALTYPE, which_node,
673                       TAKE_THIS_TAG_DOUBLE, MPI_COMM_WORLD);              
674              index++;
675            }
# Line 704 | Line 704 | namespace oopse {
704                 integrableObject != NULL;
705                 integrableObject = mol->nextIntegrableObject(ii)){
706              
707 <            MPI_Recv(&angleTransfer, 1, MPI_DOUBLE, 0,
707 >            MPI_Recv(&angleTransfer, 1, MPI_REALTYPE, 0,
708                       TAKE_THIS_TAG_DOUBLE, MPI_COMM_WORLD, &istatus);
709  
710              integrableObject->setZangle(angleTransfer);
# Line 753 | Line 753 | namespace oopse {
753      MPI_Status istatus;
754      
755      int nCurObj;
756 <    double angleTranfer;
756 >    RealType angleTranfer;
757      
758      nTotObjs = info_->getNGlobalIntegrableObjects();
759      haveError = 0;
# Line 789 | Line 789 | namespace oopse {
789            
790            for(j=0; j < nCurObj; j++){            
791              angleTransfer = 0.0;
792 <            MPI_Send(&angleTransfer, 1, MPI_DOUBLE, which_node,
792 >            MPI_Send(&angleTransfer, 1, MPI_REALTYPE, which_node,
793                       TAKE_THIS_TAG_DOUBLE, MPI_COMM_WORLD);              
794              
795            }
# Line 822 | Line 822 | namespace oopse {
822                 integrableObject != NULL;
823                 integrableObject = mol->nextIntegrableObject(ii)){
824              
825 <            MPI_Recv(&angleTransfer, 1, MPI_DOUBLE, 0,
825 >            MPI_Recv(&angleTransfer, 1, MPI_REALTYPE, 0,
826                       TAKE_THIS_TAG_DOUBLE, MPI_COMM_WORLD, &istatus);
827              vecParticles[j]->setZangle(angleTransfer);
828            }    

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