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root/OpenMD/trunk/src/minimizers/SDMinimizer.cpp
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Comparing trunk/src/minimizers/SDMinimizer.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 77 | Line 77 | namespace oopse {
77    }
78  
79    int SDMinimizer::checkConvg() {
80 <    double fTol;
81 <    double relativeFTol; // relative tolerance
82 <    double deltaF;
83 <    double gTol;
84 <    double relativeGTol;
85 <    double gnorm;
80 >    RealType fTol;
81 >    RealType relativeFTol; // relative tolerance
82 >    RealType deltaF;
83 >    RealType gTol;
84 >    RealType relativeGTol;
85 >    RealType gnorm;
86  
87      // test function tolerance test
88      fTol = paramSet->getFTol();
# Line 108 | Line 108 | namespace oopse {
108  
109   #else
110  
111 <    double localDP;
112 <    double globalDP;
111 >    RealType localDP;
112 >    RealType globalDP;
113  
114      localDP = dotProduct(curG, curG);
115 <    MPI_Allreduce(&localDP, &globalDP, 1, MPI_DOUBLE, MPI_SUM, MPI_COMM_WORLD);
115 >    MPI_Allreduce(&localDP, &globalDP, 1, MPI_REALTYPE, MPI_SUM, MPI_COMM_WORLD);
116      gnorm = sqrt(globalDP);
117  
118   #endif

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