compute_meso_t_atom.txt
caf9483a0a7clammm-devel

compute_meso_t_atom.txt
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			.. index:: compute meso/t/atom

			compute meso/t/atom command
			===========================

			Syntax
			""""""

			.. parsed-literal::

			compute ID group-ID meso/t/atom

			* ID, group-ID are documented in :doc:`compute <compute>` command
			* meso/t/atom = style name of this compute command

			Examples
			""""""""

			.. parsed-literal::

			compute 1 all meso/t/atom

			Description
			"""""""""""

			Define a computation that calculates the per-atom internal temperature
			for each atom in a group.

			The internal temperature is the ratio of internal energy over the heat
			capacity associated with the internal degrees of freedom of a mesoscopic
			particles, e.g. a Smooth-Particle Hydrodynamics particle.

			T_\ int = E_\ int / C_\ V, int

			See `this PDF guide <USER/sph/SPH_LAMMPS_userguide.pdf>`_ to using SPH in
			LAMMPS.

			The value of the internal energy will be 0.0 for atoms not in the
			specified compute group.

			Output info:

			This compute calculates a per-atom vector, which can be accessed by
			any command that uses per-atom values from a compute as input. See
			:ref:`Section_howto 15 <howto_15>` for an overview of
			LAMMPS output options.

			The per-atom vector values will be in temperature :doc:`units <units>`.

			Restrictions
			""""""""""""


			This compute is part of the USER-SPH package. It is only enabled if
			LAMMPS was built with that package. See the :ref:`Making LAMMPS <start_3>` section for more info.

			Related commands
			""""""""""""""""

			:doc:`dump custom <dump>`

			Default: none


			.. _lws: http://lammps.sandia.gov
			.. _ld: Manual.html
			.. _lc: Section_commands.html#comm