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lammps/doc/compute_erotate_sphere.txt
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compute_erotate_sphere.txt
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"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)
:line
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". 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
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