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root/group/branches/new_design/OOPSE-3.0/src/minimizers/CGFamilyMinimizer.cpp
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Comparing branches/new_design/OOPSE-3.0/src/minimizers/CGFamilyMinimizer.cpp (file contents):
Revision 1883 by tim, Thu Dec 2 05:17:10 2004 UTC vs.
Revision 1884 by tim, Tue Dec 14 19:08:44 2004 UTC

# Line 1 | Line 1
1 < #include <math.h>
1 > #include <cmath>
2  
3   #include "minimizers/OOPSEMinimizer.hpp"
4   #include "utils/Utility.hpp"
5  
6 < CGFamilyMinmizer::CGFamilyMinmizer(SimInfo *theInfo, ForceFields* the_ff ,
6 > CGFamilyMinmizer::CGFamilyMinmizer(SimInfo *theInfo
7                                                                 MinimizerParameterSet * param)
8 <                         :OOPSEMinimizer(theInfo, the_ff, param){
8 >                         :OOPSEMinimizer(theInfo, param){
9    prevG.resize(ndim);
10    prevX.resize(ndim);
11    direction.resize(ndim);
# Line 68 | Line 68 | int CGFamilyMinmizer::checkConvg(){
68      return CONVG_ABSGTOL;
69    }
70  
71 /*
72  //test step tolerance test
73
74  double stepTol = paramSet->getStepTol();
75  double snorm = stepTolNorm();
76  double xnorm =  Norm2(curX);
77  double sTol  = stepTol*max(1.0, xnorm);
78  if (snorm  <= sTol) {
79      cout << "step tolerance test passed" << std::endl;
80      cout << "stol = " << sTol
81             << "\tsnorm = " << snorm<< std::endl;
82    return CONVG_STEPTOL;
83  }
84 */  
71    // did not converge yet
72    return CONVG_UNCONVG;
73   }

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