compute ke/atom command
compute ID group-ID ke/atom
- ID, group-ID are documented in compute command
- ke/atom = style name of this compute command
compute 1 all ke/atom
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.
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 6.15 for an overview of LAMMPS output options.
The per-atom vector values will be in energy units.