compute_smd_internal_energy.txt
9cf43f2a0b7fmaster

compute_smd_internal_energy.txt
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			.. index:: compute smd/internal/energy

			compute smd/internal/energy command
			===================================

			Syntax
			""""""

			.. parsed-literal::

			compute ID group-ID smd/internal/energy

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

			Examples
			""""""""

			.. parsed-literal::

			compute 1 all smd/internal/energy

			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 :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 energy.

			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. This compute
			can only be used for particles which interact via the updated
			Lagrangian or total Lagrangian SPH pair styles.

			Related Commands:

			Default
			"""""""


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