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 fix 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 doc 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 fix is defined.

Restrictions

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