lammps/doc/html/_sources/compute_angle.txt

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.. index:: compute angle
compute angle command
=====================
Syntax
""""""
.. parsed-literal::
compute ID group-ID angle
* ID, group-ID are documented in :doc:`compute <compute>` command
* angle = style name of this compute command
Examples
""""""""
.. parsed-literal::
compute 1 all angle
Description
"""""""""""
Define a computation that extracts the angle energy calculated by each
of the angle sub-styles used in the "angle_style
hybrid" angle_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 :doc:`angle_style hybrid <angle_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:`angle_style hybrid <angle_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 :ref:`this section <howto_15>` 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: Section_commands.html#comm