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root/group/trunk/OOPSE/libmdtools/Integrator.hpp
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Comparing trunk/OOPSE/libmdtools/Integrator.hpp (file contents):
Revision 1010 by tim, Tue Feb 3 20:43:08 2004 UTC vs.
Revision 1031 by tim, Fri Feb 6 18:58:06 2004 UTC

# Line 481 | Line 481 | class OOPSEMinimizerBase : public RealIntegrator {
481      
482      double calcGradient(vector<double>& x, vector<double>& grad);
483      void setOptCoor(vector<double>& x);
484 <    void getOptCoor(vector<double>& x);
485 <    void output();
484 >    vector<double> getOptCoor();
485 >    void output(vector<double>& x, int iteration);
486 >    int getDim() {return dim;}
487 >  protected:
488      
489 +    int dim;
490 +    void calcDim();
491   };
492  
493 < template<typename TMinimizer> class OOPSEMinimizer : public OOPSEMinimizerBase, TMinimizer{
494 <  public:
495 <    void writeOutput();
496 < };
493 > //template<typename TMinimizer> class OOPSEMinimizer : public OOPSEMinimizerBase, TMinimizer{
494 > //  public:
495 > //    void writeOutput();
496 > //};
497    
498   #endif

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