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lammps/doc/_sources/compute_dpd_atom.txt
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compute_dpd_atom.txt
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.. index:: compute dpd/atom
compute dpd/atom command
========================
Syntax
""""""
.. parsed-literal::
compute ID group-ID dpd/atom
* ID, group-ID are documented in :doc:`compute <compute>` command
* dpd/atom = style name of this compute command
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 :doc:`compute dpd <compute_dpd>` 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
:ref:`Section_howto15 <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) :doc:`units <units>`.
Restrictions
""""""""""""
The compute *dpd/atom* is only available if LAMMPS is built with the
USER-DPD package.
Related commands
""""""""""""""""
:doc:`dump custom <dump>`, :doc:`compute dpd <compute_dpd>`
**Default:** none
----------
.. _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).
.. _lws: http://lammps.sandia.gov
.. _ld: Manual.html
.. _lc: Section_commands.html#comm
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