compute_smd_internal_energy.txt
39d713b5a307lammm-master

compute_smd_internal_energy.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 smd/internal/energy command :h3

			[Syntax:]

			compute ID group-ID smd/internal/energy :pre

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

			[Examples:]

			compute 1 all smd/internal/energy :pre

			[Description:]

			Define a computation which outputs the per-particle enthalpy, i.e.,
			the sum of potential energy and heat.

			See "this PDF guide"_USER/smd/SMD_LAMMPS_userguide.pdf to use 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 "How-to discussions, section 6.15"_Section_howto.html#howto_15 for
			an overview of LAMMPS output options.

			The per-particle vector values will be given in "units"_units.html of energy.

			[Restrictions:]

			This compute is part of the USER-SMD package. It is only enabled if
			LAMMPS was built with that package. See the "Making
			LAMMPS"_Section_start.html#start_3 section for more info. This compute
			can only be used for particles which interact via the updated
			Lagrangian or total Lagrangian SPH pair styles.

			[Related Commands:]

			[Default:]