\(\renewcommand{\AA}{\text{Å}}\)

compute sph/t/atom command

Syntax

compute ID group-ID sph/t/atom

  • ID, group-ID are documented in compute command

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

Examples

compute 1 all sph/t/atom

Description

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

The internal temperature is the ratio of internal energy over the heat capacity associated with the internal degrees of freedom of an SPH particles, i.e. a Smooth-Particle Hydrodynamics particle.

\[T_{int} = E_{int} / C_{V,int}\]

See this PDF guide to using SPH in LAMMPS.

Note

Please note that the SPH PDF guide file has not been updated for many years and thus does not reflect the current syntax of the SPH package commands. For that please refer to the LAMMPS manual.

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 temperature 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