compute erotate/superquadric command¶
Syntax¶
compute ID group-ID erotate/superquadric general_keyword general_values
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.