.. 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