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 atoms store angular velocity (omega) as defined by the atom_style. It also require they store either a per-particle diameter or per-type shape.
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:
Default: none