--- trunk/OOPSE/libmdtools/Integrator.hpp	2003/07/10 17:10:56	588
+++ trunk/OOPSE/libmdtools/Integrator.hpp	2003/07/11 22:34:48	594
@@ -35,7 +35,7 @@ class Integrator : public BaseIntegrator { (protected)
   
   void checkConstraints( void );
   void rotate( int axes1, int axes2, double angle, double j[3], 
-	       double A[9] );
+	       double A[3][3] );
 
 
   ForceFields* myFF;
@@ -124,6 +124,11 @@ class NPTi : public Integrator{ (public)
   NPTi ( SimInfo *theInfo, ForceFields* the_ff);
   virtual ~NPTi() {};
 
+  virtual void integrateStep( int calcPot, int calcStress ){
+    calcStress = 1;
+    Integrator::integrateStep( calcPot, calcStress );
+  }
+
   void setTauThermostat(double tt) {tauThermostat = tt; have_tau_thermostat=1;}
   void setTauBarostat(double tb) {tauBarostat = tb; have_tau_barostat=1;}
   void setTargetTemp(double tt) {targetTemp = tt; have_target_temp = 1;}
@@ -162,6 +167,11 @@ class NPTf : public Integrator{ (public)
   NPTf ( SimInfo *theInfo, ForceFields* the_ff);
   virtual ~NPTf() {};
 
+  virtual void integrateStep( int calcPot, int calcStress ){
+    calcStress = 1;
+    Integrator::integrateStep( calcPot, calcStress );
+  }
+
   void setTauThermostat(double tt) {tauThermostat = tt; have_tau_thermostat=1;}
   void setTauBarostat(double tb) {tauBarostat = tb; have_tau_barostat=1;}
   void setTargetTemp(double tt) {targetTemp = tt; have_target_temp = 1;}