65 lines
1.8 KiB
ReStructuredText
65 lines
1.8 KiB
ReStructuredText
.. index:: compute damage/atom
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compute damage/atom 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 damage/atom
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* ID, group-ID are documented in :doc:`compute <compute>` command
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* damage/atom = style name of this compute command
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Examples
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""""""""
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.. code-block:: LAMMPS
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compute 1 all damage/atom
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Description
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"""""""""""
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Define a computation that calculates the per-atom damage for each atom
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in a group. This is a quantity relevant for :doc:`Peridynamics models <pair_peri>`. See `this document <PDF/PDLammps_overview.pdf>`_
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for an overview of LAMMPS commands for Peridynamics modeling.
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The "damage" of a Peridynamics particles is based on the bond breakage
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between the particle and its neighbors. If all the bonds are broken
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the particle is considered to be fully damaged.
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See the `PDLAMMPS user guide <http://www.sandia.gov/~mlparks/papers/PDLAMMPS.pdf>`_ for a formal
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definition of "damage" and more details about Peridynamics as it is
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implemented in LAMMPS.
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This command can be used with all the Peridynamic pair styles.
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The damage value will be 0.0 for atoms not in the specified compute
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group.
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**Output info:**
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This compute calculates a per-atom vector, which can be accessed by
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any command that uses per-atom values from a compute as input. See
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the :doc:`Howto output <Howto_output>` doc page for an overview of
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LAMMPS output options.
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The per-atom vector values are unitless numbers (damage) >= 0.0.
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Restrictions
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""""""""""""
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This compute is part of the PERI package. It is only enabled if
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LAMMPS was built with that package. See the :doc:`Build package <Build_package>` doc page for more info.
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Related commands
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""""""""""""""""
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:doc:`compute dilatation/atom <compute_dilatation_atom>`,
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:doc:`compute plasticity/atom <compute_plasticity_atom>`
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**Default:** none
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