forked from lijiext/lammps
59 lines
1.4 KiB
Plaintext
59 lines
1.4 KiB
Plaintext
.. index:: compute smd/internal/energy
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compute smd/internal/energy command
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===================================
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Syntax
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""""""
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.. parsed-literal::
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compute ID group-ID smd/internal/energy
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* ID, group-ID are documented in :doc:`compute <compute>` command
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* smd/smd/internal/energy = style name of this compute command
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Examples
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""""""""
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.. parsed-literal::
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compute 1 all smd/internal/energy
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Description
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"""""""""""
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Define a computation which outputs the per-particle enthalpy, i.e.,
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the sum of potential energy and heat.
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See `this PDF guide <USER/smd/SMD_LAMMPS_userguide.pdf>`_ to use Smooth
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Mach Dynamics in LAMMPS.
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**Output Info:**
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This compute calculates a per-particle vector, which can be accessed
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by any command that uses per-particle values from a compute as input.
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See :ref:`How-to discussions, section 6.15 <howto_15>` for
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an overview of LAMMPS output options.
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The per-particle vector values will be given in :doc:`units <units>` of energy.
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Restrictions
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""""""""""""
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This compute is part of the USER-SMD package. It is only enabled if
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LAMMPS was built with that package. See the :ref:`Making LAMMPS <start_3>` section for more info. This compute
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can only be used for particles which interact via the updated
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Lagrangian or total Lagrangian SPH pair styles.
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**Related Commands:**
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Default
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"""""""
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.. _lws: http://lammps.sandia.gov
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.. _ld: Manual.html
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.. _lc: Section_commands.html#comm
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