--- trunk/OOPSE/libmdtools/Thermo.hpp 2003/04/09 04:06:43 483 +++ trunk/OOPSE/libmdtools/Thermo.hpp 2003/04/09 13:59:35 484 @@ -22,9 +22,11 @@ class Thermo{ (public) double getTemperature(); // gives the instant temp. in K double getPressure(); // gives the instant pressure in atm; - void getPressureTensor(double pressure_tensor[9]); // gives the pressure - // tensor in - // amu*fs^-2*Ang^-1 + void getPressureTensor(double pressure_tensor[9]); // gives the pressure + // tensor in + // amu*fs^-2*Ang^-1 + double getVolume(); // gives the volume in Ang^3 + double getEnthalpy(); // gives the enthalpy in kcal/mol 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