OOPSE/libmdtools/ConjugateMinimizer.hpp

#ifndef _CONJUGATEMINIMIZER_H_
#define _CONJUGATEMINIMIZER_H_

#include "Minimizer.hpp"

//abstract class of conjugate gradient minimizer
class ConjugateMinimizerBase : public MinimizerUsingLineSearch{

  public:

    ConjugateMinimizerBase(NLModel1* nlmodel, MinimizerParameterSet* param);
    ~ConjugateMinimizerBase() {}
    
    bool isSolvable();
    virtual void minimize();
    virtual int checkConvergence();    
    virtual void reset();
    virtual void printMinizerInfo();
    
  protected:

    virtual double calcGamma(vector<double>& newGrad, vector<double>& oldGrad) = 0;
    NLModel1 * model;
    
    vector<double> prevGrad;    
    vector<double> gradient;
    vector<double> prevDirection;
    vector<double> direction;   
};

//Fletcher-Reeves Conjugate Gradient Method
class FRCGMinimizer : public ConjugateMinimizerBase{

  public:
    FRCGMinimizer(NLModel1* nlmodel, MinimizerParameterSet* param) :ConjugateMinimizerBase(nlmodel, param){}

  protected:    

    double calcGamma(vector<double>& newGrad, vector<double>& oldGrad);

};

//Polak-Reeves Conjugate Gradient Method
class PRCGMinimizer : public ConjugateMinimizerBase{

  public:
    PRCGMinimizer(NLModel1* nlmodel, MinimizerParameterSet* param) :ConjugateMinimizerBase(nlmodel, param){}

  protected:

    double calcGamma(vector<double>& newGrad, vector<double>& oldGrad);
};

#endif
Revision:	1031
Committed:	Fri Feb 6 18:58:06 2004 UTC (20 years, 5 months ago) by tim
File size:	1426 byte(s)
Log Message:	Add some lines into global.cpp to make it work with energy minimization
#	Content
1	#ifndef _CONJUGATEMINIMIZER_H_
2	#define _CONJUGATEMINIMIZER_H_
3
4	#include "Minimizer.hpp"
5
6	//abstract class of conjugate gradient minimizer
7	class ConjugateMinimizerBase : public MinimizerUsingLineSearch{
8
9	public:
10
11	ConjugateMinimizerBase(NLModel1* nlmodel, MinimizerParameterSet* param);
12	~ConjugateMinimizerBase() {}
13
14	bool isSolvable();
15	virtual void minimize();
16	virtual int checkConvergence();
17	virtual void reset();
18	virtual void printMinizerInfo();
19
20	protected:
21
22	virtual double calcGamma(vector<double>& newGrad, vector<double>& oldGrad) = 0;
23	NLModel1 * model;
24
25	vector<double> prevGrad;
26	vector<double> gradient;
27	vector<double> prevDirection;
28	vector<double> direction;
29	};
30
31	//Fletcher-Reeves Conjugate Gradient Method
32	class FRCGMinimizer : public ConjugateMinimizerBase{
33
34	public:
35	FRCGMinimizer(NLModel1* nlmodel, MinimizerParameterSet* param) :ConjugateMinimizerBase(nlmodel, param){}
36
37	protected:
38
39	double calcGamma(vector<double>& newGrad, vector<double>& oldGrad);
40
41	};
42
43	//Polak-Reeves Conjugate Gradient Method
44	class PRCGMinimizer : public ConjugateMinimizerBase{
45
46	public:
47	PRCGMinimizer(NLModel1* nlmodel, MinimizerParameterSet* param) :ConjugateMinimizerBase(nlmodel, param){}
48
49	protected:
50
51	double calcGamma(vector<double>& newGrad, vector<double>& oldGrad);
52	};
53
54	#endif