--- trunk/OOPSE/libmdtools/Integrator.hpp	2004/01/27 19:15:20	987
+++ trunk/OOPSE/libmdtools/Integrator.hpp	2004/02/24 15:44:45	1064
@@ -473,22 +473,30 @@ class OOPSEMinimizerBase : public RealIntegrator {
 
 };
 
+/*
 class OOPSEMinimizerBase : public RealIntegrator {
   public:
 
     OOPSEMinimizerBase ( SimInfo *theInfo, ForceFields* the_ff );
     virtual ~OOPSEMinimizerBase();
     
-    double calcGradient(const vector<double>& x, vector<double>& grad);
-    void setOptCoor(vector<double>& x);
-    void getOptCoor(vector<double>& x);
-    void output();
+    double calcGradient(vector<double>& x, vector<double>& grad);
+    void setCoor(vector<double>& x);
+    vector<double> getCoor();
+    void output(vector<double>& x, int iteration);
+    int getDim() {return dim;}
+    void constraintMove();
+    void shakeF();
+    void shakeR();
+  protected:
     
+    int dim;
+    void calcDim();
 };
 
-template<typename TMinimizer> class OOPSEMinimizer : public OOPSEMinimizerBase, TMinimizer{
-  public:
-    void writeOutput();
-};
-  
+//template<typename TMinimizer> class OOPSEMinimizer : public OOPSEMinimizerBase, TMinimizer{
+//  public:
+//    void writeOutput();
+//};
+*/  
 #endif