mirror of https://github.com/lammps/lammps.git
66 lines
1.4 KiB
Plaintext
66 lines
1.4 KiB
Plaintext
.. index:: compute meso/e/atom
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compute meso/e/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 meso/e/atom
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* ID, group-ID are documented in :doc:`compute <compute>` command
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* meso/e/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 meso/e/atom
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Description
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"""""""""""
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Define a computation that calculates the per-atom internal energy
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for each atom in a group.
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The internal energy is the energy associated with the internal degrees
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of freedom of a mesoscopic particles, e.g. a Smooth-Particle
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Hydrodynamics particle.
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See `this PDF guide <USER/sph/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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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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:ref:`Section_howto 15 <howto_15>` for an overview of
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LAMMPS output options.
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The per-atom vector values will be in energy :doc:`units <units>`.
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Restrictions
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""""""""""""
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This compute is part of the USER-SPH package. It is only enabled if
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LAMMPS was built with that package. See the :ref:`Making LAMMPS <start_3>` section 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:** none
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.. _lws: http://lammps.sandia.gov
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.. _ld: Manual.html
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.. _lc: Section_commands.html#comm
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