LAMMPS WWW Site - LAMMPS Documentation - LAMMPS Commands

### compute erotate/sphere command

Syntax:

    compute ID group-ID erotate/sphere

- ID, group-ID are documented in compute command
- erotate/sphere = style name of this compute command

Examples:

    compute 1 all erotate/sphere

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, 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 command or by each particle being assigned an individual radius, e.g. for atom_style granular.

Related commands: none

Default: none