\(\renewcommand{\AA}{\text{Å}}\)

compute nbond/atom command

Syntax

compute ID group-ID nbond/atom

  • ID, group-ID are documented in compute command

  • nbond/atom = style name of this compute command

Examples

compute 1 all nbond/atom

Description

New in version 4May2022.

Define a computation that computes the number of bonds each atom is part of. Bonds which are broken are not counted in the tally. See the Howto broken bonds page for more information. The number of bonds will be zero for atoms not in the specified compute group. This compute does not depend on Newton bond settings.

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 doc page for an overview of LAMMPS output options.

Restrictions

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

Default

none