| # | Line 22 | Line 22 | class Thermo{ (public) | |
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| 22 | ||
| 23 | double getTemperature(); // gives the instant temp. in K | |
| 24 | double getPressure(); // gives the instant pressure in Pa | |
| 25 | + | |
| 26 | + | int getNDF(); // get the number of degrees of freedom in the system |
| 27 | + | int getNDFraw(); // get the number of raw degrees of freedom in the system |
| 28 | + | // i.e. don't subtract constraints or system COM. |
| 29 | ||
| 30 | void velocitize(); // set the temperature to the target temp in SimInfo | |
| 31 | // NOTE: srand48 should be seeded before calling. | |
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