compute_bond.txt
1cf54d01f4a7lammps-icms

compute_bond.txt
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			"LAMMPS WWW Site"_lws - "LAMMPS Documentation"_ld - "LAMMPS Commands"_lc :c

			:link(lws,http://lammps.sandia.gov)
			:link(ld,Manual.html)
			:link(lc,Section_commands.html#comm)

			:line

			compute bond command :h3

			[Syntax:]

			compute ID group-ID bond :pre

			ID, group-ID are documented in "compute"_compute.html command
			bond = style name of this compute command :ul

			[Examples:]

			compute 1 all bond :pre

			[Description:]

			Define a computation that extracts the bond energy calculated by each
			of the bond sub-styles used in the "bond_style
			hybrid"_bond_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 "bond_style hybrid"_bond_hybrid.html
			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 "bond_style
			hybrid"_bond_style.html 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 "this
			section"_Section_howto.html#howto_15 for an overview of LAMMPS output
			options.

			The vector values are "extensive" and will be in energy
			"units"_units.html.

			[Restrictions:] none

			[Related commands:]

			"compute pe"_compute_pe.html, "compute pair"_compute_pair.html

			[Default:] none