--- trunk/OOPSE/libmdtools/Integrator.hpp 2004/01/20 20:32:57 969 +++ trunk/OOPSE/libmdtools/Integrator.hpp 2004/02/06 21:37:59 1035 @@ -479,16 +479,20 @@ class OOPSEMinimizerBase : public RealIntegrator { OOPSEMinimizerBase ( SimInfo *theInfo, ForceFields* the_ff ); virtual ~OOPSEMinimizerBase(); - double calcGradient(const vector& x, vector& grad); - void setOptCoor(vector& x); - void getOptCoor(vector& x); - void output(); + double calcGradient(vector& x, vector& grad); + void setCoor(vector& x); + vector getCoor(); + void output(vector& x, int iteration); + int getDim() {return dim;} + protected: + int dim; + void calcDim(); }; -template class OOPSEMinimizer : public OOPSEMinimizerBase, TMinimizer{ - public: - -}; +//template class OOPSEMinimizer : public OOPSEMinimizerBase, TMinimizer{ +// public: +// void writeOutput(); +//}; #endif