\(\renewcommand{\AA}{\text{Å}}\)

compute smd/rho command

Syntax

compute ID group-ID smd/rho

  • ID, group-ID are documented in compute command

  • smd/rho = style name of this compute command

Examples

compute 1 all smd/rho

Description

Define a computation that calculates the per-particle mass density. The mass density is the mass of a particle which is constant during the course of a simulation, divided by its volume, which can change due to mechanical deformation.

See this PDF guide to use 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 values will be in units of mass over volume.

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