compute erotate/superquadric command — LIGGGHTS v3.X documentation

# compute erotate/superquadric command

## Syntax

    compute ID group-ID erotate/superquadric general_keyword general_values

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

## Examples

    compute 1 all erotate/superquadric

## Description

Define a computation that calculates the rotational kinetic energy of a group of superquadric particles. See the atom_style and read_data commands for descriptions of these options.

For all 3 types of particles, the rotational kinetic energy is computed as 1/2 I w^2, where I is the inertia tensor for the particle and w is its angular velocity, which is computed from its angular momentum if needed.

## Output info

This compute calculates a global scalar (the KE). This value can be used by any command that uses a global scalar value from a compute as input. See Section_howto 15 for an overview of LIGGGHTS(R)-PUBLIC-SUPERQUADRIC output options.

The scalar value calculated by this compute is “extensive”. The scalar value will be in energy units.

## Restrictions

This compute requires atom_style superquadric

Related commands: none

compute erotate/sphere

Default: none