compute_bond.txt
66b282b36d03efficient_neuronet

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 bstyle :pre

			ID, group-ID are documented in "compute"_compute.html command
			bond = style name of this compute command
			bstyle = style name of a bond style that calculates additional values :ul

			[Examples:]

			compute 1 all bond harmonic
			compute 2 all bond morse :pre

			[Description:]

			Define a computation that extracts additional values calculated by a
			bond style, sums them across processors, and makes them accessible for
			output or further processing by other commands. The group specified
			for this command is ignored.

			The specified {bstyle} must be a bond style used in your simulation
			either by itself or as a sub-style in a "bond_style hybrid"_bond_hybrid.html
			command.

			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
			sub-style.

			[Output info:]

			This compute calculates a global scalar which is the contribution of
			the named bond style to the bond energy {ebond}.

			The scalar value calculated by this compute is "extensive" and will be
			in energy "units"_units.html.

			[Restrictions:] none

			[Related commands:]

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

			[Default:]

			The default for {evalue} is {ebond}.