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compute erotate/disk/atom command

Syntax:

compute ID group-ID erotate/disk/atom 

Examples:

compute 1 all erotate/disk/atom 

Description:

This command is part of the USER-SEAICE package; it is only enabled if LIGGGHTS was built with that package.

It defines a computation that calculates the rotational kinetic energy for each disk-shaped particle in a group. The only difference in respect to the compute erotate/sphere/atom command concerns the moments of inertia used to calculate the rotational energy. For a disk with radius r, thickness h and mass m, the moment of inertia around its symmetry axis equals Iz = 1/2 mr^2, and the moment of inertia around the remaining two axes equals Ix = Iy = 1/12 m(3r^2+h^2).

The value of the rotational kinetic energy will be 0.0 for atoms not in the specified compute group.

Output info:

This compute calculates a per-atom vector, which can be accessed by any command that uses per-atom values from a compute as input. See Section_howto 15 for an overview of LAMMPS output options.

Restrictions:

This compute requires that atoms store a set of properties as defined by the atom_style disk command. All particles in the group must be finite-size disks.

Related commands:

dump custom, compute erotate/sphere/atom

Default: none

(Herman) Agnieszka Herman, Geosci. Model Devel., submitted (2015).