:orphan:

.. index:: compute_temp

.. _compute-temp:

.. _compute-temp-command:

####################
compute temp command
####################

.. _compute-temp-kk-command:

#######################
compute temp/kk command
#######################

.. _compute-temp-syntax:

*******
Syntax:
*******

::

   compute ID temp

   - ID is documented in :ref:`compute<compute>` command
   - temp = style name of this compute command

.. _compute-temp-examples:

*********
Examples:
*********

::

   compute 1 temp
   compute myTemp temp

.. _compute-temp-descriptio:

************
Description:
************

Define a computation that calculates the temperature of all particles.

The temperature is calculated by the formula KE = dim/2 N kB T, where
KE = total kinetic energy of the particles (sum of 1/2 m v^2), dim =
dimensionality of the simulation, N = number of particles, kB =
Boltzmann constant, and T = temperature.

.. note::

  that this definition of temperature does not subtract out a net
  streaming velocity for particles, so it is not a thermal temperature
  when the particles have a non-zero streaming velocity.  See the
  :ref:`compute thermal/grid<compute-thermal-grid>` command for
  calculation of thermal temperatures on a per grid cell basis.

.. _compute-temp-output-info:

************
Output info:
************

This compute calculates a global scalar (the temperature).  This value
can be used by any command that uses global scalar values from a
compute as input.  See :ref:`Section 6.4<howto-output-sparta-(stats,-dumps,>` for an
overview of SPARTA output options.

The scalar value will be in temperature :ref:`units<units>`.

Styles with a *kk* suffix are functionally the same as the
corresponding style without the suffix.  They have been optimized to
run faster, depending on your available hardware, as discussed in the
:ref:`Accelerating SPARTA<accelerate>` section of the manual.
The accelerated styles take the same arguments and should produce the
same results, except for different random number, round-off and
precision issues.

These accelerated styles are part of the KOKKOS package. They are only
enabled if SPARTA was built with that package.  See the :ref:`Making SPARTA<start-making-sparta-optional-packages>` section for more info.

You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the :ref:`-suffix command-line switch<start-commandlin-options>` when you invoke SPARTA, or you can
use the :ref:`suffix<suffix>` command in your input script.

See the :ref:`Accelerating SPARTA<accelerate>` section of the
manual for more instructions on how to use the accelerated styles
effectively.

.. _compute-temp-restrictio:

*************
Restrictions:
*************

none

.. _compute-temp-related-commands:

*****************
Related commands:
*****************

none

.. _compute-temp-default:

********
Default:
********

none