Regarding monitoring temperature before fixing

Dear Friends,

I am going to monitor the real temperature before fixing it in LAMMPS. Please let me know by which command it would be possible.

as you know the real temperature would be calculated based on the temporal kinetic energy.

If you define a thermo output interval with the “thermo” command, LAMMPS will print the temperature by default in the thermodynamic output. This is calculated as T = 2*(Total kinetic energy) / (Number of degrees of freedom), if I remember the formula correctly.

Note that if you do not keep the temperature constant with a thermostat this will fluctuate more, and you might have to simulate for a long time to get an accurate average value if your system is not large.