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root/group/trunk/OOPSE/libmdtools/MinimizerBase.hpp
Revision: 970
Committed: Tue Jan 20 20:34:12 2004 UTC (20 years, 5 months ago) by tim
File size: 939 byte(s)
Log Message:
Adding energy minimization

File Contents

# User Rev Content
1 tim 970 #ifndef _MINIMIZERBASE_H_
2     #define _MINIMIZERBASE_H_
3    
4     class MinimizerBase{
5     public:
6    
7     virtual void Minimize() = 0;
8     virtual int step() = 0;
9     virtual bool testConvergence() = 0;
10    
11     virtual bool isSolvable() = 0;
12    
13     void double setFTol(double tol);
14     void double setGradTol(double gradTol);
15    
16     void setStepSize(double step);
17     double getStepSize();
18    
19     void setMaxStep();
20     double getMaxStep();
21    
22     const string& getMethodName();
23     void setMethodName(const string& name);
24    
25     void setObjFunctor();
26     void getObjFunctor();
27    
28     /*
29     void setUpdateFunctor();
30     void getUpdateFunctor();
31    
32     void setSearchFunctor();
33     void getSearchFunctor();
34     */
35    
36     protected:
37    
38     double stepSize;
39     double maxStep;
40     double fTol;
41     double gradTol;
42     string methodName;
43    
44     bool hasObjFunctor;
45    
46     /*
47     bool hasUpdateFunctor;
48    
49     bool hasSearchFunctor;
50     */
51    
52     };
53     #endif

Properties

Name Value
svn:executable *