\(\renewcommand{\AA}{\text{Å}}\)

compute nbond/atom command

Syntax

compute ID group-ID nbond/atom keyword value

ID, group-ID are documented in compute command
nbond/atom = style name of this compute command
zero or more keyword/value pairs may be appended

keyword = bond/type

bond/type value = btype
  btype = bond type included in count

Examples

compute 1 all nbond/atom
compute 1 all nbond/atom bond/type 2

Description

Added 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.

If the keyword bond/type is specified, only bonds of btype are counted.

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