compute_angle.txt
5abac962ed66master

compute_angle.txt
View Options

			.. 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