\(\renewcommand{\AA}{\text{Å}}\)

compute smd/vol command

Syntax

compute ID group-ID smd/vol

  • ID, group-ID are documented in compute command

  • smd/vol = style name of this compute command

Examples

compute 1 all smd/vol

Description

Define a computation that provides the per-particle volume and the sum of the per-particle volumes of the group for which the compute is defined.

See this PDF guide to using Smooth Mach Dynamics in LAMMPS.

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. See the Howto output page for an overview of LAMMPS output options.

The per-particle vector values will be given in units of volume.

Additionally, the compute returns a scalar, which is the sum of the per-particle volumes of the group for which the compute is defined.

Restrictions

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

Default

none