\(\renewcommand{\AA}{\text{Å}}\)
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 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 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 MACHDYN package. It is only enabled if LAMMPS was built with that package. See the Build package page for more info.
Default
none