--- trunk/OOPSE/libmdtools/Integrator.hpp	2003/09/15 16:52:02	763
+++ trunk/OOPSE/libmdtools/Integrator.hpp	2003/09/16 20:02:11	767
@@ -201,8 +201,6 @@ template<typename T> class NPTi : public T{ (protected
   short int have_pos_iter_tolerance;
   double etaTolerance;
   short int have_eta_tolerance;
-
-  double volume;
 
 };
 
@@ -320,12 +318,11 @@ template<typename T> class NPTf : public T{ (public)
 public:
 
   NPTf ( SimInfo *theInfo, ForceFields* the_ff);
-  virtual ~NPTf() {};
+  virtual ~NPTf();
 
   virtual void integrateStep( int calcPot, int calcStress ){
     calcStress = 1;
     T::integrateStep( calcPot, calcStress );
-    accIntegralOfChidt();
   }
   
   virtual double getConservedQuantity(void);
@@ -346,14 +343,20 @@ template<typename T> class NPTf : public T{ (public)
 
   virtual int readyCheck();
 
-  void accIntegralOfChidt(void) { integralOfChidt += dt * chi;}
 
   // chi and eta are the propagated degrees of freedom
 
   double chi;
   double eta[3][3];
   double NkBT;
+  double fkBT;
+
+  int Nparticles;
 
+  double *oldPos;
+  double *oldVel;
+  double *oldJi;
+
   double integralOfChidt;
   
   // targetTemp, targetPressure, and tauBarostat must be set.  
@@ -370,7 +373,8 @@ template<typename T> class NPTf : public T{ (public)
   short int have_chi_tolerance;
   double posIterTolerance;
   short int have_pos_iter_tolerance;
-
+  double etaTolerance;
+  short int have_eta_tolerance;
 };
 
 template<typename T> class NPTxym : public T{