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.. index:: compute improper
compute improper command
========================
Syntax
""""""
.. parsed-literal::
compute ID group-ID improper
* ID, group-ID are documented in :doc:`compute <compute>` command
* improper = style name of this compute command
Examples
""""""""
.. parsed-literal::
compute 1 all improper
Description
"""""""""""
Define a computation that extracts the improper energy calculated by
each of the improper sub-styles used in the :doc:`improper_style hybrid <improper_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:`improper_style hybrid <improper_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:`improper_style hybrid <improper_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