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root/group/trunk/OOPSE/libmdtools/MinimizerParameterSet.hpp
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Comparing trunk/OOPSE/libmdtools/MinimizerParameterSet.hpp (file contents):
Revision 997 by tim, Thu Jan 29 21:44:13 2004 UTC vs.
Revision 1064 by tim, Tue Feb 24 15:44:45 2004 UTC

# Line 1 | Line 1
1   #ifndef _MININIZERPARAMETERSET_H_
2   #define _MININIZERPARAMETERSET_H_
3  
4 + const double DEFAULTTOLERANCE = 1.0e-8;
5 +
6   // base class of minimizer's parameter set
7   class MinimizerParameterSet{
8    public:
7    MinimizerParameterSet(int dim);
9  
10 <    virtual void setDefaultParameter();
10 >    MinimizerParameterSet() {setDefaultParameter();}
11 >    MinimizerParameterSet(MinimizerParameterSet& param) {*this = param;}
12      
13 <    void setStepSize(double step) { stepSize = step;}
13 >    void operator= (MinimizerParameterSet& param) {
14 >
15 >      maxIteration = param.maxIteration;
16 >      stepSize = param.stepSize;
17 >      stepTol = param.stepTol;
18 >      fTol = param.fTol;
19 >      gTol = param.gTol;
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;
36 >      
37 >      lsMaxIteration = 50;
38 >      lsTol = DEFAULTTOLERANCE;
39 >    }
40 >      
41 >    void setStepTol(double tol) { stepTol = tol;}
42 >    double getStepTol() { return stepTol;}
43 >
44 >    void setStepSize(double size) {  stepSize = size;}
45      double getStepSize() { return stepSize;}
46  
47 <    void setMaxStep(double step) { maxStep = step;}
48 <    double getMaxStep() {return maxStep;}
47 >    void setMaxIteration(int iter) { maxIteration = iter;}
48 >    int getMaxIteration() {return maxIteration;}
49  
50 <    const string getMethodName() {return methodName;}
51 <    void setMethodName(const string& name) { methodName = name;}
50 >    void setFTol(double tol) {fTol = tol;}
51 >    double getFTol() {return fTol;}
52  
53 <    void setAbsGradTol(double tol) {absGradTol = tol;}
54 <    double getAbsGradTol() {return absGradTol;}
53 >    void setGTol(double tol) {gTol = tol;}
54 >    double getGTol() {return gTol;}
55  
56 <    void setAchGradTol(double tol) { absAchGradTol = tol;}
57 <    double getAchGradTol() { return achGradTol;}
56 >    void setLineSearchTol(double tol) {lsTol = tol;}
57 >    double getLineSearchTol() {return lsTol;}
58  
59 <    void setAbsTol(vector<double>& tol) { absTol = tol;}
60 <    vector<double> getAbsTol() { return absTol;}
28 <    
29 <    void setRelTol(vector<double> tol) { relTol = tol;}
30 <    vector<double> getRelTol() { return relTol;}
59 >    void setLineSearchMaxIteration(int iter) {lsMaxIteration = iter;}
60 >    int getLineSearchMaxIteration() {return lsMaxIteration;}
61  
62 <    void setTotTol(vector<double>& tol) { totTol = tol;}
63 <    vector<double> getTotTol() { return totTol;}
62 >    void setWriteFrq(int frq) {writeFrq = frq;}
63 >    int getWriteFrq() {return writeFrq;}
64  
65    protected:    
66  
67 +    int maxIteration;
68 +    double stepTol;
69 +    double fTol;
70 +    double gTol;
71      double stepSize;
38    double maxStep;
72  
73 <    // Name of minimizer
74 <    string methodName;
73 >    int lsMaxIteration;
74 >    double lsTol;
75  
76 <    // Absolute gradient tolerance
77 <    double absGradTol;
78 <
46 <   // Achieved gradient tolerance.
47 <    double  achGradTol;
48 <
76 >    int writeFrq;
77 >    //int resetFrq;
78 > /*
79      // Absolute tolerance
80      vector<double> absTol;
81  
# Line 57 | Line 87 | class MinimizerParameterSet{
87  
88      // Tolerance achieved at convergence.
89      vector<double> achTol;
90 <
90 > */
91   };
92  
93  

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