forked from lijiext/lammps
61 lines
1.5 KiB
Plaintext
61 lines
1.5 KiB
Plaintext
.. index:: compute angle
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compute angle command
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=====================
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Syntax
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""""""
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.. parsed-literal::
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compute ID group-ID angle
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* ID, group-ID are documented in :doc:`compute <compute>` command
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* angle = style name of this compute command
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Examples
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""""""""
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.. parsed-literal::
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compute 1 all angle
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Description
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"""""""""""
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Define a computation that extracts the angle energy calculated by each
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of the angle sub-styles used in the "angle_style
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hybrid" angle_hybrid.html command. These values are made accessible
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for output or further processing by other commands. The group
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specified for this command is ignored.
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This compute is useful when using :doc:`angle_style hybrid <angle_hybrid>` if you want to know the portion of the total
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energy contributed by one or more of the hybrid sub-styles.
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**Output info:**
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This compute calculates a global vector of length N where N is the
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number of sub_styles defined by the :doc:`angle_style hybrid <angle_style>` command, which can be accessed by indices
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1-N. These values can be used by any command that uses global scalar
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or vector values from a compute as input. See :ref:`this section <howto_15>` for an overview of LAMMPS output
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options.
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The vector values are "extensive" and will be in energy
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:doc:`units <units>`.
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Restrictions
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""""""""""""
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none
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Related commands
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""""""""""""""""
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:doc:`compute pe <compute_pe>`, :doc:`compute pair <compute_pair>`
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**Default:** none
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.. _lws: http://lammps.sandia.gov
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.. _ld: Manual.html
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.. _lc: Section_commands.html#comm
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