\(\renewcommand{\AA}{\text{Å}}\)
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