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:]

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#4_15 for an overview of
LAMMPS output options.

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

The scalar value will be in energy "units"_units.html.

[Restrictions:]

This compute requires that atoms store angular velocity (omega) as
defined by the "atom_style"_atom_style.html.  It also require they
store either a per-particle diameter or per-type "shape"_shape.html.

All particles in the group must be finite-size spheres or point
particles.  They cannot be aspherical.  Point particles will not
contribute to the rotational energy.

[Related commands:]

"compute erotate/asphere"_compute_rotate_asphere.html

[Default:] none