--- trunk/OOPSE/libmdtools/ExtendedSystem.hpp	2003/04/08 17:16:22	480
+++ trunk/OOPSE/libmdtools/ExtendedSystem.hpp	2003/04/08 21:35:49	481
@@ -13,10 +13,11 @@ class ExtendedSystem{ (public)
   ExtendedSystem(SimInfo* the_entry_plug);
   virtual ~ExtendedSystem() {}
 
-  void setQmass(double q) {qmass = q;}
-  void setTauRelax(double tr) {tauRelax = tr;}
-  void setTargetTemp(double tt) {targetTemp = tt;}
-  void setTargetPressure(double tp) {targetPressure = tp;}
+  void setQmass(double q) {qmass = q; have_qmass = 1;}
+  void setTauThermostat(double tt) {tauThermostat = tt; have_tau_thermostat=1;}
+  void setTauBarostat(double tt) {tauBarostat = tt; 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 NoseHooverNVT(double dt, double ke);
   void NoseHooverAndersonNPT(double dt, double ke, double p_mol);
@@ -26,6 +27,9 @@ class ExtendedSystem{ (public)
 
   SimInfo* entry_plug;
 
+  short int NVTready();
+  short int NPTready();
+
   // 
   int nAtoms;
   int nMols;
@@ -44,7 +48,11 @@ class ExtendedSystem{ (public)
   double qmass;
   double targetTemp;
   double targetPressure;
-  double tauRelax;
+  double tauThermostat;
+  double tauBarostat;
 
+  short int have_tau_thermostat, have_tau_barostat, have_target_temp;
+  short int have_target_pressure, have_qmass;
+
 };
 #endif