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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

# Content
1 #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 *