--- trunk/OOPSE/libmdtools/Integrator.hpp	2003/09/22 21:23:25	780
+++ trunk/OOPSE/libmdtools/Integrator.hpp	2003/09/23 20:34:31	782
@@ -366,115 +366,6 @@ template<typename T> class NPTxym : public T{ (protect
   double eta;
   double etaX;
   double etaY;
-  double NkBT;
-
-  // targetTemp, targetPressure, and tauBarostat must be set.  
-  // One of qmass or tauThermostat must be set;
-
-  double targetTemp;
-  double targetPressure;
-  double tauThermostat;
-  double tauBarostat;
-
-  short int have_tau_thermostat, have_tau_barostat, have_target_temp;
-  short int have_target_pressure;
-
-};
-
-
-template<typename T> class NPTfm : public T{
-
-public:
-
-  NPTfm ( SimInfo *theInfo, ForceFields* the_ff);
-  virtual ~NPTfm() {};
-
-  virtual void integrateStep( int calcPot, int calcStress ){
-    calcStress = 1;
-    T::integrateStep( calcPot, calcStress );
-    accIntegralOfChidt();
-  }
-
-  virtual double getConservedQuantity(void);
-  
-  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;}
-  void setTargetPressure(double tp) {targetPressure = tp; have_target_pressure = 1;}
-  void setChiTolerance(double tol) {chiTolerance = tol;}
-  void setPosIterTolerance(double tol) {posIterTolerance = tol;}
-
-protected:
-
-  virtual void  moveA( void );
-  virtual void moveB( void );
-
-  virtual void resetIntegrator( void );
-
-  virtual int readyCheck();
-
-  void accIntegralOfChidt(void) { integralOfChidt += dt * chi;}
-
-  Molecule* myMolecules;
-  Atom** myAtoms;
-
-  // chi and eta are the propagated degrees of freedom
-
-  double chi;
-  double eta[3][3];
-  double NkBT;
-  double integralOfChidt;
-
-  // targetTemp, targetPressure, and tauBarostat must be set.  
-  // One of qmass or tauThermostat must be set;
-
-  double targetTemp;
-  double targetPressure;
-  double tauThermostat;
-  double tauBarostat;
-
-  short int have_tau_thermostat, have_tau_barostat, have_target_temp;
-  short int have_target_pressure;
-  double chiTolerance;
-  short int have_chi_tolerance;
-  double posIterTolerance;
-  short int have_pos_iter_tolerance;
-
-};
-
-
-template<typename T> class NPTpr : public T{
-
-public:
-
-  NPTpr ( SimInfo *theInfo, ForceFields* the_ff);
-  virtual ~NPTpr() {};
-
-  virtual void integrateStep( int calcPot, int calcStress ){
-    calcStress = 1;
-    T::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;}
-  void setTargetPressure(double tp) {targetPressure = tp; have_target_pressure = 1;}
-  void setChiTolerance(double tol) {chiTolerance = tol;}
-  void setPosIterTolerance(double tol) {posIterTolerance = tol;}
-
-protected:
-
-  virtual void  moveA( void );
-  virtual void moveB( void );
-
-  virtual int readyCheck();
-
-  virtual void resetIntegrator( void );
-
-  // chi and eta are the propagated degrees of freedom
-
-  double chi;
-  double eta[3][3];
   double NkBT;
 
   // targetTemp, targetPressure, and tauBarostat must be set.  
@@ -487,14 +378,9 @@ template<typename T> class NPTpr : public T{ (protecte
 
   short int have_tau_thermostat, have_tau_barostat, have_target_temp;
   short int have_target_pressure;
-  double chiTolerance;
-  short int have_chi_tolerance;
-  double posIterTolerance;
-  short int have_pos_iter_tolerance;
 
 };
 
-
 template<typename T> class ZConstraint : public T {
   
   public: