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

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

:line

compute bond command :h3

[Syntax:]

compute ID group-ID bond :pre

ID, group-ID are documented in "compute"_compute.html command
bond = style name of this compute command :ul

[Examples:]

compute 1 all bond :pre

[Description:]

Define a computation that extracts the bond energy calculated by each
of the bond sub-styles used in the "bond_style
hybrid"_bond_hybrid.html command.  These values are made accessible
for output or further processing by other commands.  The group
specified for this command is ignored.

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
or more of the hybrid sub-styles.

[Output info:]

This compute calculates a global vector of length N where N is the
number of sub_styles defined by the "bond_style
hybrid"_bond_style.html command, which can be accessed by indices 1-N.
These values can be used by any command that uses global scalar or
vector values from a compute as input.  See the "Howto
output"_Howto_output.html doc page for an overview of LAMMPS output
options.

The vector values are "extensive" and will be in energy
"units"_units.html.

[Restrictions:] none

[Related commands:]

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

[Default:] none
