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root/group/trunk/OOPSE/libmdtools/ConjugateMinimizer.cpp
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Comparing trunk/OOPSE/libmdtools/ConjugateMinimizer.cpp (file contents):
Revision 1023 by tim, Wed Feb 4 22:26:00 2004 UTC vs.
Revision 1035 by tim, Fri Feb 6 21:37:59 2004 UTC

# Line 6 | Line 6 | ConjugateMinimizerBase::ConjugateMinimizerBase(NLModel
6    
7    model = nlmodel;
8    //set the dimension
9 <
9 >  
10   #ifndef IS_MPI
11    dim = model->getDim();
12   #else
13 <
13 >  dim = model->getDim();
14   #endif
15    prevGrad.resize(dim);    
16    gradient.resize(dim);
# Line 65 | Line 65 | void ConjugateMinimizerBase::minimize(){
65    
66    maxIteration = paramSet->getMaxIteration();
67  
68 <  for(currentIter = 0;currentIter < maxIteration; currentIter++){
68 >  for(currentIter = 1;currentIter <= maxIteration; currentIter++){
69  
70      // perform line search to minimize f(x + lamda * direction) where stepSize > 0
71      lsMinimizer->minimize(direction, 0.0, 1.0);
# Line 133 | Line 133 | int ConjugateMinimizerBase::checkConvergence(){
133  
134    //test absolute gradient tolerance
135    
136 <  if (sqrt(dotProduct(gradient, gradient)) < paramSet->getGradTol())
136 >  if (sqrt(dotProduct(gradient, gradient)) < paramSet->getGTol())
137      return 1;
138    else
139      return -1;

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