"LAMMPS WWW Site"_lws - "LAMMPS Documentation"_ld - "LAMMPS Commands"_lc :c

:link(lws,http://lammps.sandia.gov)
:link(ld,Manual.html)
:link(lc,Section_commands.html#comm)

:line

compute bond command :h3

[Syntax:]

compute ID group-ID bond bstyle :pre

ID, group-ID are documented in "compute"_compute.html command
bond = style name of this compute command
bstyle = style name of a bond style that calculates additional values :ul

[Examples:]

compute 1 all bond harmonic
compute 2 all bond morse :pre

[Description:]

Define a computation that extracts additional values calculated by a
bond style, sums them across processors, and makes them accessible for
output or further processing by other commands.  The group specified
for this command is ignored.

The specified {bstyle} must be a bond style used in your simulation
either by itself or as a sub-style in a "bond_style hybrid"_bond_hybrid.html
command.

This compute is useful when using "bond_style hybrid"_bond_hybrid.html
if you want to know the portion of the total energy contributed by one
sub-style.

[Output info:]

This compute calculates a global scalar which is the contribution of
the named bond style to the bond energy {ebond}.

The scalar value calculated by this compute is "extensive" and will be
in energy "units"_units.html.

[Restrictions:] none

[Related commands:]

"compute pe"_compute_pe.html, "compute pair"_compute_pair.html

[Default:]

The default for {evalue} is {ebond}.