\(\renewcommand{\AA}{\text{Å}}\)

compute sph/e/atom command

Syntax

compute ID group-ID sph/e/atom

  • ID, group-ID are documented in compute command

  • sph/e/atom = style name of this compute command

Examples

compute 1 all sph/e/atom

Description

Define a computation that calculates the per-atom internal energy for each atom in a group.

The internal energy is the energy associated with the internal degrees of freedom of an SPH particle, i.e. a Smooth-Particle Hydrodynamics particle.

See this PDF guide to using SPH in LAMMPS.

The value of the internal 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

This compute is part of the SPH package. It is only enabled if LAMMPS was built with that package. See the Build package page for more info.

Default

none