\(\renewcommand{\AA}{\text{Å}}\)

compute damage/atom command

Syntax

compute ID group-ID damage/atom

  • ID, group-ID are documented in compute command

  • damage/atom = style name of this compute command

Examples

compute 1 all damage/atom

Description

Define a computation that calculates the per-atom damage for each atom in a group. This is a quantity relevant for Peridynamics models. See this document for an overview of LAMMPS commands for Peridynamics modeling.

The “damage” of a Peridynamics particles is based on the bond breakage between the particle and its neighbors. If all the bonds are broken the particle is considered to be fully damaged.

See the Peridynamics Howto for a formal definition of “damage” and more details about Peridynamics as it is implemented in LAMMPS.

This command can be used with all the Peridynamic pair styles.

The damage value 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 are unitless numbers (damage) \(\ge 0.0\).

Restrictions

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

Default

none