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root/OpenMD/trunk/src/minimizers/CGFamilyMinimizer.cpp
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Comparing trunk/src/minimizers/CGFamilyMinimizer.cpp (file contents):
Revision 507 by gezelter, Fri Apr 15 22:04:00 2005 UTC vs.
Revision 963 by tim, Wed May 17 21:51:42 2006 UTC

# Line 56 | Line 56 | namespace oopse {
56    }
57  
58    int CGFamilyMinimizer::checkConvg(){
59 <    double fTol;
60 <    double relativeFTol;  // relative tolerance
61 <    double deltaF;
62 <    double gTol;
63 <    double relativeGTol;
64 <    double gnorm;
59 >    RealType fTol;
60 >    RealType relativeFTol;  // relative tolerance
61 >    RealType deltaF;
62 >    RealType gTol;
63 >    RealType relativeGTol;
64 >    RealType gnorm;
65    
66  
67      // test function tolerance test
# Line 86 | Line 86 | namespace oopse {
86   #ifndef IS_MPI
87      gnorm = sqrt(dotProduct(curG, curG));
88   #else
89 <    double localDP;
90 <    double globalDP;
89 >    RealType localDP;
90 >    RealType globalDP;
91  
92      localDP = dotProduct(curG, curG);
93 <    MPI_Allreduce(&localDP, &globalDP, 1, MPI_DOUBLE,MPI_SUM, MPI_COMM_WORLD);  
93 >    MPI_Allreduce(&localDP, &globalDP, 1, MPI_REALTYPE,MPI_SUM, MPI_COMM_WORLD);  
94      gnorm  = sqrt(globalDP);
95   #endif
96  

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