--- trunk/OOPSE/libmdtools/Integrator.hpp	2003/09/02 14:30:12	738
+++ trunk/OOPSE/libmdtools/Integrator.hpp	2003/09/04 21:48:35	746
@@ -39,6 +39,8 @@ template<typename T = BaseIntegrator> class Integrator
   virtual void constrainB( void );
   virtual int  readyCheck( void ) { return 1; }
 
+  virtual void resetIntegrator( void ) { }
+
   virtual void calcForce( int calcPot, int calcStress );  
   virtual void thermalize();
   
@@ -105,6 +107,8 @@ template<typename T> class NVT : public T { (protected
 
   virtual int readyCheck();
 
+  virtual void resetIntegrator( void );
+
   // chi is a propagated degree of freedom.
 
   double chi;
@@ -144,6 +148,8 @@ template<typename T> class NPTi : public T{ (protected
 
   virtual int readyCheck();
 
+  virtual void resetIntegrator( void );
+
   // chi and eta are the propagated degrees of freedom
 
   double chi;
@@ -186,6 +192,8 @@ template<typename T> class NPTim : public T{ (protecte
   virtual void moveB( void );
 
   virtual int readyCheck();
+
+  virtual void resetIntegrator( void );
 
   Molecule* myMolecules;
   Atom** myAtoms;
@@ -231,6 +239,8 @@ template<typename T> class NPTf : public T{ (protected
   virtual void  moveA( void );
   virtual void moveB( void );
 
+  virtual void resetIntegrator( void );
+
   virtual int readyCheck();
 
   // chi and eta are the propagated degrees of freedom
@@ -273,6 +283,8 @@ template<typename T> class NPTfm : public T{ (protecte
 
   virtual void  moveA( void );
   virtual void moveB( void );
+
+  virtual void resetIntegrator( void );
 
   virtual int readyCheck();
 
@@ -323,6 +335,8 @@ template<typename T> class NPTpr : public T{ (protecte
 
   virtual int readyCheck();
 
+  virtual void resetIntegrator( void );
+
   // chi and eta are the propagated degrees of freedom
 
   double chi;