81 lines
1.6 KiB
ReStructuredText
81 lines
1.6 KiB
ReStructuredText
.. index:: compute edpd/temp/atom
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compute edpd/temp/atom command
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==============================
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Syntax
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""""""
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.. parsed-literal::
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compute ID group-ID edpd/temp/atom
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* ID, group-ID are documented in :doc:`compute <compute>` command
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* edpd/temp/atom = style name of this compute command
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Examples
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""""""""
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.. parsed-literal::
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compute 1 all edpd/temp/atom
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Description
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"""""""""""
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Define a computation that calculates the per-atom temperature
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for each eDPD particle in a group.
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The temperature is a local temperature derived from the internal energy
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of each eDPD particle based on the local equilibrium hypothesis.
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For more details please see :ref:`(Espanol1997) <Espanol1997>` and
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:ref:`(Li2014) <Li2014a>`.
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**Output info:**
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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 the
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:doc:`Howto output <Howto_output>` doc page for an overview of LAMMPS
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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 USER-MESO package. It is only enabled if
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LAMMPS was built with that package. See the :doc:`Build package <Build_package>` doc page for more info.
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Related commands
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""""""""""""""""
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:doc:`pair\_style edpd <pair_meso>`
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**Default:** none
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----------
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.. _Espanol1997:
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**(Espanol1997)** Espanol, Europhys Lett, 40(6): 631-636 (1997). DOI:
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10.1209/epl/i1997-00515-8
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.. _Li2014a:
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**(Li2014)** Li, Tang, Lei, Caswell, Karniadakis, J Comput Phys, 265:
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113-127 (2014). DOI: 10.1016/j.jcp.2014.02.003.
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.. _lws: http://lammps.sandia.gov
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.. _ld: Manual.html
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.. _lc: Commands_all.html
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