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root/OpenMD/branches/development/src/minimizers/CGFamilyMinimizer.cpp
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Comparing branches/development/src/minimizers/CGFamilyMinimizer.cpp (file contents):
Revision 1665 by gezelter, Tue Nov 22 20:38:56 2011 UTC vs.
Revision 1668 by gezelter, Fri Jan 6 19:03:05 2012 UTC

# Line 66 | Line 66 | namespace OpenMD {
66      RealType gTol;
67      RealType relativeGTol;
68      RealType gnorm;
69 –  
69  
70      // test function tolerance test
71      fTol =paramSet->getFTol();
72 <    relativeFTol = fTol * std::max(1.0,fabs(curF));  // relative tolerance
72 >
73 >    relativeFTol = fTol * std::max(RealType(1.0), fabs(curF));  // relative tolerance
74 >
75      deltaF = prevF - curF;
76    
77      if (fabs(deltaF) <= relativeFTol) {
# Line 85 | Line 86 | namespace OpenMD {
86    
87      //gradient tolerance test
88      gTol = paramSet->getGTol();
89 <    relativeGTol = gTol * std::max(1.0,fabs(curF));
89 >    relativeGTol = gTol * std::max(RealType(1.0), fabs(curF));
90  
91   #ifndef IS_MPI
92      gnorm = sqrt(dotProduct(curG, curG));

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