I want to stratify the simulation box and compute the temperature in each bin. How to do this ? Which commands should need?
I want to stratify the simulation box and compute the temperature in each
bin. How to do this ? Which commands should need?
how about having some quality time with the documentation?
you could start here and then work your way through the relevant parts.
http://lammps.sandia.gov/doc/Section_howto.html#output-from-lammps-thermo-dumps-computes-fixes-variables
axel.
Specifically, you can look at compute temp/profile,
compute chunk/atom, and compute temp/chunk.
“Chunks” can represent spatial bins.
Steve