--- branches/mmeineke/OOPSE/libmdtools/Thermo.hpp	2003/03/21 17:42:12	377
+++ trunk/OOPSE/libmdtools/Thermo.hpp	2003/04/07 16:56:38	468
@@ -21,10 +21,16 @@ class Thermo{ (public)
   double getTotalE(); // gets the total energy
 
   double getTemperature(); // gives the instant temp. in K
-  double getPressure(); // gives the instant pressure in Pa
+  double getPressure(); // gives the instant pressure in amu*fs^-2*Ang^-1
+
+  int getNDF();    // get the number of degrees of freedom in the system
+  int getNDFraw(); // get the number of raw degrees of freedom in the system
+                   // i.e. don't subtract constraints or system COM.
   
   void velocitize(); // set the temperature to the target temp in SimInfo
                      // NOTE: srand48 should be seeded before calling.
+  void getCOMVel(double vdrift[3]);
+
 private:
   SimInfo* entry_plug;
   gaussianSPRNG *gaussStream;