.. index:: compute erotate/asphere

compute erotate/asphere command
===============================

Syntax
""""""

.. code-block:: LAMMPS

   compute ID group-ID erotate/asphere

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

Examples
""""""""

.. code-block:: LAMMPS

   compute 1 all erotate/asphere

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

Define a computation that calculates the rotational kinetic energy of
a group of aspherical particles.  The aspherical particles can be
ellipsoids, or line segments, or triangles.  See the
:doc:`atom_style <atom_style>` and :doc:`read_data <read_data>` commands
for descriptions of these options.

For all 3 types of particles, the rotational kinetic energy is
computed as :math:`\frac12 I \omega^2`, where :math:`I` is the inertia tensor
for the aspherical particle and :math:`\omega` is its angular velocity, which
is computed from its angular momentum if needed.

.. note::

   For :doc:`2d models <dimension>`, ellipsoidal particles are
   treated as ellipsoids, not ellipses, meaning their moments of inertia
   will be the same as in 3d.

Output info
"""""""""""

This compute calculates a global scalar (the KE).  This value can be
used by any command that uses a global scalar value from a compute as
input.  See the :doc:`Howto output <Howto_output>` page for an
overview of LAMMPS output options.

The scalar value calculated by this compute is "extensive".  The
scalar value will be in energy :doc:`units <units>`.

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

This compute requires that ellipsoidal particles atoms store a shape
and quaternion orientation and angular momentum as defined by the
:doc:`atom_style ellipsoid <atom_style>` command.

This compute requires that line segment particles atoms store a length
and orientation and angular velocity as defined by the :doc:`atom_style line <atom_style>` command.

This compute requires that triangular particles atoms store a size and
shape and quaternion orientation and angular momentum as defined by
the :doc:`atom_style tri <atom_style>` command.

All particles in the group must be of finite size.  They cannot be point
particles.

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

none


:doc:`compute erotate/sphere <compute_erotate_sphere>`

Default
"""""""

none
