.. index:: compute bond

compute bond command
====================

Syntax
""""""


.. parsed-literal::

   compute ID group-ID bond

* ID, group-ID are documented in :doc:`compute <compute>` command
* bond = style name of this compute command

Examples
""""""""


.. parsed-literal::

   compute 1 all bond

Description
"""""""""""

Define a computation that extracts the bond energy calculated by each
of the bond sub-styles used in the :doc:`bond\_style hybrid <bond_hybrid>` 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 :doc:`bond\_style hybrid <bond_hybrid>`
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 :doc:`bond\_style hybrid <bond_style>` 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 :doc:`Howto output <Howto_output>` doc page for an overview of LAMMPS output
options.

The vector values are "extensive" and will be in energy
:doc:`units <units>`.

Restrictions
""""""""""""
 none

Related commands
""""""""""""""""

:doc:`compute pe <compute_pe>`, :doc:`compute pair <compute_pair>`

**Default:** none


.. _lws: http://lammps.sandia.gov
.. _ld: Manual.html
.. _lc: Commands_all.html
