"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)

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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

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: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).