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root/group/trunk/OOPSE/libmdtools/MinimizerParameterSet.hpp
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Comparing trunk/OOPSE/libmdtools/MinimizerParameterSet.hpp (file contents):
Revision 1010 by tim, Tue Feb 3 20:43:08 2004 UTC vs.
Revision 1031 by tim, Fri Feb 6 18:58:06 2004 UTC

# Line 7 | Line 7 | class MinimizerParameterSet{
7   class MinimizerParameterSet{
8    public:
9  
10 <    MinimizerParameterSet();
10 >    MinimizerParameterSet() {setDefaultParameter();}
11      MinimizerParameterSet(MinimizerParameterSet& param) {*this = param;}
12      
13      void operator= (MinimizerParameterSet& param) {
# Line 25 | Line 25 | class MinimizerParameterSet{
25        fTol = DEFAULTTOLERANCE;
26        gTol = DEFAULTTOLERANCE;
27  
28 +      writeFrq = maxIteration;
29 +      resetFrq = maxIteration;
30 +      
31        lsMaxIteration = 50;
32        lsTol = 1.0e-4;
33      }
34 <    
32 <    
34 >      
35      void setStepTol(double tol) { stepTol = tol;}
36      double getStepTol() { return stepTol;}
37      
# Line 39 | Line 41 | class MinimizerParameterSet{
41      void setFTol(double tol) {fTol = tol;}
42      double getFTol() {return fTol;}
43  
44 <    void setGradTol(double tol) {gTol = tol;}
45 <    double getGradTol() {return gTol;}
44 >    void setGTol(double tol) {gTol = tol;}
45 >    double getGTol() {return gTol;}
46  
47      void setLineSearchTol(double tol) {lsTol = tol;}
48      double getLineSearchTol() {return lsTol;}
# Line 48 | Line 50 | class MinimizerParameterSet{
50      void setLineSearchMaxIteration(int iter) {lsMaxIteration = iter;}
51      int getLineSearchMaxIteration() {return lsMaxIteration;}
52  
53 +    void setWriteFrq(int frq) {writeFrq = frq;}
54 +    int getWriteFrq() {return writeFrq;}
55 +
56 +    void setResetFrq(int frq) { resetFrq = frq;}
57 +    int getResetFrq() {return resetFrq;}
58 +
59   /*
60      void setAbsTol(vector<double>& tol) { absTol = tol;}
61      vector<double> getAbsTol() { return absTol;}
# Line 69 | Line 77 | class MinimizerParameterSet{
77      int lsMaxIteration;
78      double lsTol;
79  
80 +    int writeFrq;
81 +    int resetFrq;
82   /*
83      // Absolute tolerance
84      vector<double> absTol;

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