lammps/doc/compute_erotate_asphere.txt

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:link(ld,Manual.html)
:link(lc,Section_commands.html#comm)

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compute erotate/asphere command :h3

[Syntax:]

compute ID group-ID erotate/asphere :pre

ID, group-ID are documented in "compute"_compute.html command
erotate/asphere = style name of this compute command :ul

[Examples:]

compute 1 all erotate/asphere :pre

[Description:]

Define a computation that calculates the rotational kinetic energy of
a group of aspherical particles.

The rotational kinetic energy is computed as 1/2 I w^2, where I is the
inertia tensor for the aspherical particle and w is its angular
velocity, which is computed from its angular momentum.

IMPORTANT NOTE: For "2d models"_dimension.html, 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 "this section"_Section_howto.html#howto_15 for an overview
of LAMMPS output options.

The scalar value calculated by this compute is "extensive".  The
scalar value will be in energy "units"_units.html.

[Restrictions:]

This compute requires that atoms store a shape and quaternion
orientation and angular momentum as defined by the "atom_style
ellipsoid"_atom_style.html command.

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

[Related commands:] none

"compute erotate/sphere"_compute_erotate_sphere.html

[Default:] none