compute ke/atom command — LAMMPS documentation

\(\renewcommand{\AA}{\text{Å}}\)

# compute ke/atom command

## Syntax

    compute ID group-ID ke/atom

- ID, group-ID are documented in compute command

- ke/atom = style name of this compute command

## 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 \(\frac12 m v^2\), 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 the Howto output page for an overview of LAMMPS output options.

The per-atom vector values will be in energy units.

## Restrictions

> none

## Related commands

dump custom

## Default

none