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

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

:line

compute erotate/sphere/atom command :h3

[Syntax:]

compute ID group-ID erotate/sphere/atom :pre

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

[Examples:]

compute 1 all erotate/sphere/atom :pre

[Description:]

Define a computation that calculates the rotational kinetic energy for
each particle in a group.

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.

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.

The value of the rotational kinetic energy will be 0.0 for atoms not
in the specified compute group or for point particles with a radius =
0.0.

[Output info:]

This compute calculates a per-atom vector, which can be accessed by
any command that uses per-atom values from a compute as input.  See
the "Howto output"_Howto_output.html doc page for an overview of
LAMMPS output options.

The per-atom vector values will be in energy "units"_units.html.

[Restrictions:] none

[Related commands:]

"dump custom"_dump.html

[Default:] none
