Hi there,
I am new to lammps and try to find out how to run it via python.
There is a nice script in the python example dictionary called plot.py.
When one runs this script, the overall temperature of the simulated system is plotted online.
In order to compute the temperature, the python script passes the command
lmp.command("thermo 10)"
to the running simulation (the 'lmp' object).
In order to extract the temperature from the running simulation,
the script uses
value = lmp.extract_compute("thermo_temp",0,0)
The first argument of the extract_compute command, according to the documentation
should be the ID of the compute command the value of which is wanted.
I was unable to understand why this works. There is no compute command, only a thermo command.
I do not know where in the python or the lammps code a mapping between the "thermo" command
and an ID called "thermo_temp" is happening.
Am I missing something?
Where is the link between the thermo command and the thermo_temp ID for a compute command?