compute_contact_atom.txt
caf9483a0a7clammps-icms

compute_contact_atom.txt
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			.. index:: compute contact/atom

			compute contact/atom command
			============================

			Syntax
			""""""

			.. parsed-literal::

			compute ID group-ID contact/atom

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

			Examples
			""""""""

			.. parsed-literal::

			compute 1 all contact/atom

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

			Define a computation that calculates the number of contacts
			for each atom in a group.

			The contact number is defined for finite-size spherical particles as
			the number of neighbor atoms which overlap the central particle,
			meaning that their distance of separation is less than or equal to the
			sum of the radii of the two particles.

			The value of the contact number will be 0.0 for atoms not in the
			specified compute group.

			Output info:

			This compute calculates a per-atom vector, whose values can be
			accessed by any command that uses per-atom values from a compute as
			input. See :ref:`Section_howto 15 <howto_15>` for an
			overview of LAMMPS output options.

			The per-atom vector values will be a number >= 0.0, as explained
			above.

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


			This compute requires that atoms store a radius as defined by the
			:doc:`atom_style sphere <atom_style>` command.

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

			:doc:`compute coord/atom <compute_coord_atom>`

			Default: none


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