mirror of https://github.com/lammps/lammps.git
66 lines
1.4 KiB
Plaintext
66 lines
1.4 KiB
Plaintext
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.. index:: compute erotate/sphere/atom
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compute erotate/sphere/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 erotate/sphere/atom
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* ID, group-ID are documented in :doc:`compute <compute>` command
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* erotate/sphere/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 erotate/sphere/atom
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Description
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"""""""""""
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Define a computation that calculates the rotational kinetic energy for
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each particle in a group.
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The rotational energy is computed as 1/2 I w^2, where I is the moment
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of inertia for a sphere and w is the particle's angular velocity.
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.. note::
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For :doc:`2d models <dimension>`, particles are treated as
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spheres, not disks, meaning their moment of inertia will be the same
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as in 3d.
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The value of the rotational kinetic energy will be 0.0 for atoms not
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in the specified compute group or for point particles with a radius =
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0.0.
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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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none
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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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