| # | Line 61 | Line 61 | namespace OpenMD { | |
|---|---|---|
| 61 | RealType getTotalE(); // gets the total energy | |
| 62 | ||
| 63 | RealType getTemperature(); // gives the instant temp. in K | |
| 64 | + | RealType getElectronicTemperature(); // gives the instant electronic temperature in K |
| 65 | ||
| 66 | RealType getPressure(); // gives the instant pressure in atm; | |
| 67 | RealType getPressureX() { return getPressure(0); } | |
| # | Line 73 | Line 74 | namespace OpenMD { | |
| 74 | ||
| 75 | // accumulate and return the simulation box dipole moment in C*m | |
| 76 | Vector3d getBoxDipole(); | |
| 77 | < | |
| 77 | > | Vector3d getHeatFlux(); |
| 78 | void saveStat(); | |
| 79 | ||
| 80 | private: | |
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