[ViewVC] Diff of: group/trunk/OOPSE/libmdtools/Integrator.hpp

Comparing trunk/OOPSE/libmdtools/Integrator.hpp (file contents):
Revision 857 by mmeineke, Fri Nov 7 17:09:48 2003 UTC vs.
Revision 1057 by tim, Tue Feb 17 19:23:44 2004 UTC

+  friend class ForceSubtractionPolicy;
+};
-+
-+
+class OOPSEMinimizerBase : public RealIntegrator {
-+
+  public:
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+    OOPSEMinimizerBase ( SimInfo *theInfo, ForceFields* the_ff );
-+
+    virtual ~OOPSEMinimizerBase();
-+
-+
+    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;
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+    void calcDim();
-+
+};
-+
-+
+//template<typename TMinimizer> class OOPSEMinimizer : public OOPSEMinimizerBase, TMinimizer{
-+
+//  public:
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+//    void writeOutput();
-+
+//};
-+
+#endif

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