Syntax:
compute ID group-ID ke/atom
Examples:
compute 1 all ke/atom
Description:
Define a computation that calculates the per-atom translational kinetic energy for each atom in a group.
The kinetic energy is simply 1/2 m v^2, where m is the mass and v is the velocity of each atom.
The value of the 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 LIGGGHTS(R)-PUBLIC output options.
The per-atom vector values will be in energy units.
Restrictions: none
Related commands:
Default: none