--- trunk/OOPSE/libmdtools/Integrator.hpp 2004/02/03 20:43:08 1010 +++ trunk/OOPSE/libmdtools/Integrator.hpp 2004/02/06 18:58:06 1031 @@ -481,14 +481,18 @@ class OOPSEMinimizerBase : public RealIntegrator { double calcGradient(vector& x, vector& grad); void setOptCoor(vector& x); - void getOptCoor(vector& x); - void output(); + vector getOptCoor(); + void output(vector& x, int iteration); + int getDim() {return dim;} + protected: + int dim; + void calcDim(); }; -template class OOPSEMinimizer : public OOPSEMinimizerBase, TMinimizer{ - public: - void writeOutput(); -}; +//template class OOPSEMinimizer : public OOPSEMinimizerBase, TMinimizer{ +// public: +// void writeOutput(); +//}; #endif