68 lines
1.4 KiB
ReStructuredText
68 lines
1.4 KiB
ReStructuredText
.. index:: compute sph/t/atom
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compute sph/t/atom command
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==========================
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Syntax
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""""""
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.. code-block:: LAMMPS
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compute ID group-ID sph/t/atom
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* ID, group-ID are documented in :doc:`compute <compute>` command
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* sph/t/atom = style name of this compute command
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Examples
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""""""""
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.. code-block:: LAMMPS
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compute 1 all sph/t/atom
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Description
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"""""""""""
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Define a computation that calculates the per-atom internal temperature
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for each atom in a group.
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The internal temperature is the ratio of internal energy over the heat
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capacity associated with the internal degrees of freedom of an SPH
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particles, i.e. a Smooth-Particle Hydrodynamics particle.
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.. math::
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T_{int} = E_{int} / C_{V,int}
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See `this PDF guide <PDF/SPH_LAMMPS_userguide.pdf>`_ to using SPH in
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LAMMPS.
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The value of the internal energy will be 0.0 for atoms not in the
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specified compute group.
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Output info
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"""""""""""
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This compute calculates a per-atom vector, which can be accessed by
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any command that uses per-atom values from a compute as input. See
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the :doc:`Howto output <Howto_output>` page for an overview of
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LAMMPS output options.
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The per-atom vector values will be in temperature :doc:`units <units>`.
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Restrictions
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""""""""""""
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This compute is part of the SPH package. It is only enabled if
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LAMMPS was built with that package. See the :doc:`Build package <Build_package>` page for more info.
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Related commands
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""""""""""""""""
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:doc:`dump custom <dump>`
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Default
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"""""""
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none
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