.. index:: compute bond

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

Syntax
""""""

.. code-block:: LAMMPS

   compute ID group-ID bond

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

Examples
""""""""

.. code-block:: LAMMPS

   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 :math:`N`, where :math:`N`
is the number of sub_styles defined by the
:doc:`bond_style hybrid <bond_style>` command,
which can be accessed by indices 1 through :math:`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>` 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
