Dear Lammps users,
can I set different thermostats at different directions? E.g. I know I can use the fix_modify/temp coupled with compute command to calculate temperature at a certain direction. But this can be done once (i.e. I can calculate the temp in x & y direction). Can I also do the same for instance in z direction so I set thermostat differently for different directions?
I hope my question is not too confusing! thanks in advance
jackie
I think you should be able to do this by using a compute temp/partial as the temperature compute for your thermostat fix.
i.e.
compute 1 all temp/partial 1 0 0 #x temperature
fix_modify my_thermostat temp 1 #fix my_thermostat now only operates on the x components
Assuming that “by direction” means the temperature
of the x-velocity component, then as Niall suggests,
compute temp/partial is what you want.
Steve
Assuming that "by direction" means the temperature
of the x-velocity component, then as Niall suggests,
compute temp/partial is what you want.
hmmm... wasn't there a limit, that we cannot have two bias/unbias
operations at the same time on the same set of atoms? or am i mixing
something up here?
axel.