forked from lijiext/lammps
56 lines
1.5 KiB
HTML
56 lines
1.5 KiB
HTML
<HTML>
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<CENTER><A HREF = "http://lammps.sandia.gov">LAMMPS WWW Site</A> - <A HREF = "Manual.html">LAMMPS Documentation</A> - <A HREF = "Section_commands.html#comm">LAMMPS Commands</A>
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<HR>
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<H3>compute damage/atom command
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</H3>
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<P><B>Syntax:</B>
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</P>
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<PRE>compute ID group-ID damage/atom
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</PRE>
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<UL><LI>ID, group-ID are documented in <A HREF = "compute.html">compute</A> command
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<LI>damage/atom = style name of this compute command
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</UL>
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<P><B>Examples:</B>
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</P>
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<PRE>compute 1 all damage/atom
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</PRE>
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<P><B>Description:</B>
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</P>
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<P>Define a computation that calculates the per-atom damage for each atom
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in a group. Please see the <A HREF = "http://www.sandia.gov/~mlparks/papers/PDLAMMPS.pdf">PDLAMMPS user
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guide</A> 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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</P>
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<P>The value of the damage will be 0.0 for atoms not in the specified
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compute group.
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</P>
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<P><B>Output info:</B>
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</P>
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<P>This compute calculates a scalar quantity for each atom, which can be
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accessed by any command that uses per-atom computes as input. See
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<A HREF = "Section_howto.html#4_15">this section</A> for an overview of LAMMPS
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output options.
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</P>
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<P><B>Restrictions:</B>
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</P>
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<P>The <I>damage/atom</I> style is part of the "peri" package. It is only
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enabled if LAMMPS was built with that package. See the <A HREF = "Section_start.html#2_3">Making
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LAMMPS</A> section for more info.
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</P>
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<P><B>Related commands:</B>
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</P>
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<P><A HREF = "dump.html">dump custom</A>
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</P>
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<P><B>Default:</B> none
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</P>
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</HTML>
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