compute_smd_vol.txt
1cf54d01f4a7lammm-devel

compute_smd_vol.txt
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			.. index:: compute smd/vol

			compute smd/vol command
			=======================

			Syntax
			""""""

			.. parsed-literal::

			compute ID group-ID smd/vol

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

			Examples
			""""""""

			.. parsed-literal::

			compute 1 all smd/vol

			Description
			"""""""""""

			Define a computation that provides the per-particle volume and the sum
			of the per-particle volumes of the group for which the fix is defined.

			See `this PDF guide <USER/smd/SMD_LAMMPS_userguide.pdf>`_ to using Smooth
			Mach Dynamics in LAMMPS.

			Output info:

			This compute calculates a per-particle vector, which can be accessed
			by any command that uses per-particle values from a compute as input.
			See :ref:`How-to discussions, section 6.15 <howto_15>` for
			an overview of LAMMPS output options.

			The per-particle vector values will be given in :doc:`units <units>` of
			volume.

			Additionally, the compute returns a scalar, which is the sum of the
			per-particle volumes of the group for which the fix is defined.

			Restrictions
			""""""""""""


			This compute is part of the USER-SMD package. It is only enabled if
			LAMMPS was built with that package. See the :ref:`Making LAMMPS <start_3>` section for more info.

			Related commands
			""""""""""""""""

			:doc:`compute smd/rho <compute_smd_rho>`

			Default: none


			.. _lws: http://lammps.sandia.gov
			.. _ld: Manual.html
			.. _lc: Section_commands.html#comm