# | Line 21 | Line 21 | class Thermo{ (public) | |
---|---|---|
21 | ||
22 | double getTemperature(); // gives the instant temp. in K | |
23 | double getPressure(); // gives the instant pressure in atm; | |
24 | < | void getPressureTensor(double pressure_tensor[9]); // gives the pressure |
25 | < | // tensor in |
26 | < | // amu*fs^-2*Ang^-1 |
24 | > | void getPressureTensor(double press[3][3]); // gives the pressure |
25 | > | // tensor in |
26 | > | // amu*fs^-2*Ang^-1 |
27 | double getVolume(); // gives the volume in Ang^3 | |
28 | double getEnthalpy(); // gives the enthalpy in kcal/mol | |
29 |
– | Removed lines |
+ | Added lines |
< | Changed lines |
> | Changed lines |