SPARTA WWW Site - SPARTA Documentation - SPARTA Commands

### compute ke/particle command

**Syntax:**

compute ID ke/particle

- ID is documented in compute command
- ke/particle = style name of this compute command

**Examples:**

compute 1 ke/particle

**Description:**

Define a computation that calculates the per-atom translational
kinetic energy for each particle.

The results of this compute can be used by different commands in
different ways. The values for a single timestep can be output by the
dump particle command.

The kinetic energy is

Vsq = Vx*Vx + Vy*Vy + Vz*Vz
KE = 1/2 m Vsq

where m is the mass and (Vx,Vy,Vz) are the velocity components of the
particle.

**Output info:**

This compute calculates a per-particle vector, which can be accessed
by any command that uses per-particle values from a compute as input.

The vector can be accessed by any command that uses per-particle
values from a compute as input. See Section
4.4 for an overview of SPARTA output
options.

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

**Restrictions:** none

**Related commands:**

dump particle

**Default:** none