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lammps/doc/compute_dpd_atom.txt
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compute_dpd_atom.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 dpd/atom command :h3
[Syntax:]
compute ID group-ID dpd/atom :pre
ID, group-ID are documented in "compute"_compute.html command
dpd/atom = style name of this compute command :ul
[Examples:]
compute 1 all dpd/atom
[Description:]
Define a computation that accesses the per-particle internal
conductive energy (u_cond), internal mechanical energy (u_mech) and
internal temperatures (dpdTheta) for each particle in a group. See
the "compute dpd"_compute_dpd.html command if you want the total
internal conductive energy, the total internal mechanical energy, and
average internal temperature of the entire system or group of dpd
particles.
[Output info:]
This compute calculates a per-particle array with 3 columns (u_cond,
u_mech, dpdTheta), which can be accessed by indices 1-3 by any command
that uses per-particle values from a compute as input. See
"Section_howto15"_Section_howto.html#howto_15 for an overview of
LAMMPS output options.
The per-particle array values will be in energy (u_cond, u_mech) and
temperature (dpdTheta) "units"_units.html.
[Restrictions:]
The compute {dpd/atom} is only available if LAMMPS is built with the
USER-DPD package.
[Related commands:]
"dump custom"_dump.html, "compute dpd"_compute_dpd.html
[Default:] none
:line
:link(Larentzos)
[(Larentzos)] J.P. Larentzos, J.K. Brennan, J.D. Moore, and
W.D. Mattson, "LAMMPS Implementation of Constant Energy Dissipative
Particle Dynamics (DPD-E)", ARL-TR-6863, U.S. Army Research
Laboratory, Aberdeen Proving Ground, MD (2014).
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