lammps/doc/compute_erotate_sphere.txt

"LAMMPS WWW Site"_lws - "LAMMPS Documentation"_ld - "LAMMPS Commands"_lc :c

:link(lws,http://lammps.sandia.gov)
:link(ld,Manual.html)
:link(lc,Section_commands.html#comm)

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compute erotate/sphere command :h3

[Syntax:]

compute ID group-ID erotate/sphere :pre

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

[Examples:]

compute 1 all erotate/sphere :pre

[Description:]

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

The rotational energy is computed as 1/2 I w^2, where I is the moment
of inertia for a sphere and w is the particle's angular velocity.

IMPORTANT NOTE: For "2d models"_dimension.html, particles are treated
as spheres, not disks, meaning their moment of inertia will be the
same as in 3d.

[Output info:]

The scalar value calculated by this compute is "extensive", meaning it
it scales with the number of atoms in the simulation.

[Restrictions:]

This compute requires that particles be represented as extended
spheres and not point particles.  This means they will have an angular
velocity and a diameter which is determined either by the
"shape"_shape.html command or by each particle being assigned an
individual radius, e.g. for "atom_style granular"_atom_style.html.

[Related commands:] none

[Default:] none