71 lines
1.8 KiB
ReStructuredText
71 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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.. code-block:: LAMMPS
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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
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<pair_peri>`. See `this document <PDF/PDLammps_overview.pdf>`_ for an
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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 :doc:`Peridynamics Howto <Howto_peri>` for a formal definition
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of "damage" and more details about Peridynamics as it is implemented in
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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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"""""""""""
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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>` 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) :math:`\ge 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 LAMMPS
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was built with that package. See the :doc:`Build package
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<Build_package>` 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
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"""""""
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none
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