# | Line 20 | Line 20 | class Thermo{ (public) | |
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20 | double getTotalE(); // gets the total energy | |
21 | ||
22 | double getTemperature(); // gives the instant temp. in K | |
23 | + | |
24 | double getPressure(); // gives the instant pressure in atm; | |
25 | + | double getPressureX(); // gives the instant pressure in atm; |
26 | + | double getPressureY(); // gives the instant pressure in atm; |
27 | + | double getPressureZ(); // gives the instant pressure in atm; |
28 | + | |
29 | void getPressureTensor(double press[3][3]); // gives the pressure | |
30 | // tensor in | |
31 | // amu*fs^-2*Ang^-1 |
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