Syntax:
compute ID group-ID erotate/sphere
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