[lammps-users] Temperture control

LAMMPS LAMMPS Mailing List Mirror
1

Dear all,

I am trying to equilibrate a LJ fcc crystal with rho=1.03 and T=0.25. So I
set the initial condition of the system and use a thermostat to
equilibrate the system to the requested T.
Now I am trying to know how I can minimize the temperature fluctuation of
each atomic layer? Suppose it is possible to define a temperature for each
layer. Which thermostat is the best choice to damp the fluctuations?
Should I use a thermostat for each layer?

Cheers,
Ali

2

There is a compute temp/region which can be used
with any of the thermostats. Though what you are suggesting
sounds unphysical.

Steve