--- trunk/OOPSE/libmdtools/Thermo.hpp 2003/07/15 17:57:04 614 +++ trunk/OOPSE/libmdtools/Thermo.hpp 2003/09/09 20:35:25 755 @@ -20,7 +20,12 @@ class Thermo{ (public) double getTotalE(); // gets the total energy double getTemperature(); // gives the instant temp. in K + double getPressure(); // gives the instant pressure in atm; + double getPressureX(); // gives the instant pressure in atm; + double getPressureY(); // gives the instant pressure in atm; + double getPressureZ(); // gives the instant pressure in atm; + void getPressureTensor(double press[3][3]); // gives the pressure // tensor in // amu*fs^-2*Ang^-1