"LAMMPS WWW Site"_lws - "LAMMPS Documentation"_ld - "LAMMPS Commands"_lc :c

:link(lws,http://lammps.sandia.gov)
:link(ld,Manual.html)
:link(lc,Section_commands.html#comm)

:line

compute meso/t/atom command :h3

[Syntax:]

compute ID group-ID meso/t/atom :pre

ID, group-ID are documented in "compute"_compute.html command
meso/t/atom = style name of this compute command :ul

[Examples:]

compute 1 all meso/t/atom :pre

[Description:]

Define a computation that calculates the per-atom internal temperature
for each atom in a group.

The internal temperature is the ratio of internal energy over the heat
capacity associated with the internal degrees of freedom of a mesoscopic
particles, e.g. a Smooth-Particle Hydrodynamics particle.

T_{int} = E_{int} / C_{V, int}

See "this PDF guide"_USER/sph/SPH_LAMMPS_userguide.pdf to using SPH in
LAMMPS.

The value of the internal energy will be 0.0 for atoms not in the
specified compute group.

[Output info:]

This compute calculates a per-atom vector, which can be accessed by
any command that uses per-atom values from a compute as input.  See
"Section 6.15"_Section_howto.html#howto_15 for an overview of
LAMMPS output options.

The per-atom vector values will be in temperature "units"_units.html.

[Restrictions:]

This compute is part of the USER-SPH package.  It is only enabled if
LAMMPS was built with that package.  See the "Making
LAMMPS"_Section_start.html#start_3 section for more info.

[Related commands:]

"dump custom"_dump.html

[Default:] none
