--- trunk/OOPSE/libmdtools/Integrator.hpp	2003/06/20 20:50:17	562
+++ trunk/OOPSE/libmdtools/Integrator.hpp	2003/06/24 22:51:57	565
@@ -92,7 +92,6 @@ class NVT : public Integrator{ (public)
   NVT ( SimInfo *theInfo, ForceFields* the_ff);
   virtual ~NVT() {}
 
-  void setQmass(double q) {qmass = q; have_qmass = 1;}
   void setTauThermostat(double tt) {tauThermostat = tt; have_tau_thermostat=1;}
   void setTargetTemp(double tt) {targetTemp = tt; have_target_temp = 1;}
 
@@ -103,19 +102,16 @@ class NVT : public Integrator{ (public)
 
   virtual int readyCheck();
 
-  // zeta is a propagated degree of freedom.
+  // chi is a propagated degree of freedom.
 
-  double zeta;
+  double chi;
 
-  // targetTemp must be set.  One of qmass or tauThermostat must be set;
+  // targetTemp must be set.  tauThermostat must also be set;
 
-  double qmass;
   double targetTemp;
   double tauThermostat;
-
-  double NkBT;
   
-  short int have_tau_thermostat, have_target_temp, have_qmass;
+  short int have_tau_thermostat, have_target_temp;
 
 };
 
@@ -127,7 +123,6 @@ class NPT : public Integrator{ (public)
   NPT ( SimInfo *theInfo, ForceFields* the_ff);
   virtual ~NPT() {};
 
-  void setQmass(double q) {qmass = q; have_qmass = 1;}
   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;}
@@ -140,22 +135,21 @@ class NPT : public Integrator{ (public)
 
   virtual int readyCheck();
 
-  // zeta and epsilonDot are the propagated degrees of freedom.
+  // chi and eta are the propagated degrees of freedom
 
-  double zeta;
-  double epsilonDot;
+  double chi;
+  double eta;
 
   // targetTemp, targetPressure, and tauBarostat must be set.  
   // One of qmass or tauThermostat must be set;
 
-  double qmass;
   double targetTemp;
   double targetPressure;
   double tauThermostat;
   double tauBarostat;
 
   short int have_tau_thermostat, have_tau_barostat, have_target_temp;
-  short int have_target_pressure, have_qmass;
+  short int have_target_pressure;
 
 };