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).