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

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

:line

compute temp/region/eff command :h3

[Syntax:]

compute ID group-ID temp/region/eff region-ID :pre

ID, group-ID are documented in "compute"_compute.html command
temp/region/eff = style name of this compute command
region-ID = ID of region to use for choosing atoms :ul

[Examples:]

compute mine flow temp/region/eff boundary :pre

[Description:]

Define a computation that calculates the temperature of a group of
nuclei and electrons in the "electron force field"_pair_eff.html
model, within a geometric region using the electron force field.  A
compute of this style can be used by commands that compute a
temperature, e.g. "thermo_modify"_thermo_modify.html.

The operation of this compute is exactly like that described by the
"compute temp/region"_compute_temp_region.html command, except that
the formula for the temperature itself includes the radial electron
velocity contributions, as discussed by the "compute
temp/eff"_compute_temp_eff.html command.

[Output info:]

This compute calculates a global scalar (the temperature) and a global
vector of length 6 (KE tensor), which can be accessed by indices 1-6.
These values can be used by any command that uses global scalar or
vector values from a compute as input.  See the "Howto
output"_Howto_output.html doc page for an overview of LAMMPS output
options.

The scalar value calculated by this compute is "intensive".  The
vector values are "extensive".

The scalar value will be in temperature "units"_units.html.  The
vector values will be in energy "units"_units.html.

[Restrictions:]

This compute is part of the USER-EFF package.  It is only enabled if
LAMMPS was built with that package.  See the "Build
package"_Build_package.html doc page for more info.

[Related commands:]

"compute temp/region"_compute_temp_region.html, "compute
temp/eff"_compute_temp_eff.html, "compute
pressure"_compute_pressure.html

[Default:] none
