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root/OpenMD/trunk/src/rnemd/RNEMD.cpp
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Comparing trunk/src/rnemd/RNEMD.cpp (file contents):
Revision 1969 by gezelter, Wed Feb 26 14:14:50 2014 UTC vs.
Revision 1971 by gezelter, Fri Feb 28 13:25:13 2014 UTC

# Line 623 | Line 623 | namespace OpenMD {
623      StuntDouble* sd;
624  
625      RealType min_val;
626 <    bool min_found = false;  
626 >    int min_found = 0;  
627      StuntDouble* min_sd;
628  
629      RealType max_val;
630 <    bool max_found = false;
630 >    int max_found = 0;
631      StuntDouble* max_sd;
632  
633      for (sd = seleManA_.beginSelected(selei); sd != NULL;
# Line 682 | Line 682 | namespace OpenMD {
682        if (!max_found) {
683          max_val = value;
684          max_sd = sd;
685 <        max_found = true;
685 >        max_found = 1;
686        } else {
687          if (max_val < value) {
688            max_val = value;
# Line 744 | Line 744 | namespace OpenMD {
744        if (!min_found) {
745          min_val = value;
746          min_sd = sd;
747 <        min_found = true;
747 >        min_found = 1;
748        } else {
749          if (min_val > value) {
750            min_val = value;
# Line 1999 | Line 1999 | namespace OpenMD {
1999                      1, MPI_INT, MPI_SUM, MPI_COMM_WORLD);
2000        MPI_Allreduce(MPI_IN_PLACE, &binMass[i],
2001                      1, MPI_REALTYPE, MPI_SUM, MPI_COMM_WORLD);
2002 <      MPI_Allreduce(MPI_IN_PLACE, &binP[i],
2002 >      MPI_Allreduce(MPI_IN_PLACE, binP[i].getArrayPointer(),
2003                      3, MPI_REALTYPE, MPI_SUM, MPI_COMM_WORLD);
2004 <      MPI_Allreduce(MPI_IN_PLACE, &binL[i],
2004 >      MPI_Allreduce(MPI_IN_PLACE, binL[i].getArrayPointer(),
2005                      3, MPI_REALTYPE, MPI_SUM, MPI_COMM_WORLD);
2006 <      MPI_Allreduce(MPI_IN_PLACE, &binI[i],
2006 >      MPI_Allreduce(MPI_IN_PLACE, binI[i].getArrayPointer(),
2007                      9, MPI_REALTYPE, MPI_SUM, MPI_COMM_WORLD);
2008        MPI_Allreduce(MPI_IN_PLACE, &binKE[i],
2009                      1, MPI_REALTYPE, MPI_SUM, MPI_COMM_WORLD);

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