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root/group/trunk/OOPSE/libmdtools/MinimizerParameterSet.hpp
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Comparing trunk/OOPSE/libmdtools/MinimizerParameterSet.hpp (file contents):
Revision 1057 by tim, Tue Feb 17 19:23:44 2004 UTC vs.
Revision 1064 by tim, Tue Feb 24 15:44:45 2004 UTC

# Line 13 | Line 13 | class MinimizerParameterSet{
13      void operator= (MinimizerParameterSet& param) {
14  
15        maxIteration = param.maxIteration;
16 +      stepSize = param.stepSize;
17        stepTol = param.stepTol;
17 –      lsTol = param.lsTol;
18        fTol = param.fTol;
19        gTol = param.gTol;
20 <    }
20 >
21 >      writeFrq = param.writeFrq;
22 >
23 >      lsMaxIteration = param.lsMaxIteration;
24 >      lsTol = param.lsTol;
25 >
26 > }
27      
28      virtual void setDefaultParameter(){
29        maxIteration = 200;
30 +      stepSize = 0.01;
31        stepTol = DEFAULTTOLERANCE;
32        fTol = DEFAULTTOLERANCE;
33        gTol = DEFAULTTOLERANCE;
34  
35        writeFrq = maxIteration;
29 –      resetFrq = maxIteration;
36        
37        lsMaxIteration = 50;
38        lsTol = DEFAULTTOLERANCE;
# Line 34 | Line 40 | class MinimizerParameterSet{
40        
41      void setStepTol(double tol) { stepTol = tol;}
42      double getStepTol() { return stepTol;}
43 <    
43 >
44 >    void setStepSize(double size) {  stepSize = size;}
45 >    double getStepSize() { return stepSize;}
46 >
47      void setMaxIteration(int iter) { maxIteration = iter;}
48      int getMaxIteration() {return maxIteration;}
49  
# Line 53 | Line 62 | class MinimizerParameterSet{
62      void setWriteFrq(int frq) {writeFrq = frq;}
63      int getWriteFrq() {return writeFrq;}
64  
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;}
62 –    
63 –    void setRelTol(vector<double> tol) { relTol = tol;}
64 –    vector<double> getRelTol() { return relTol;}
65 –
66 –    void setTotTol(vector<double>& tol) { totTol = tol;}
67 –    vector<double> getTotTol() { return totTol;}
68 – */
69 –
65    protected:    
66  
67      int maxIteration;
68      double stepTol;
69      double fTol;
70      double gTol;
71 +    double stepSize;
72  
73      int lsMaxIteration;
74      double lsTol;
75  
76      int writeFrq;
77 <    int resetFrq;
77 >    //int resetFrq;
78   /*
79      // Absolute tolerance
80      vector<double> absTol;

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