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lammps/doc/compute_temp_region_eff.txt
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compute_temp_region_eff.txt
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"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 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 "this
section"_Section_howto.html#howto_15 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 "Making
LAMMPS"_Section_start.html#start_3 section 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
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