forked from lijiext/lammps
55 lines
1.5 KiB
HTML
55 lines
1.5 KiB
HTML
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<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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</CENTER>
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<HR>
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<H3>compute erotate/asphere 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 erotate/asphere
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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>erotate/asphere = 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 erotate/asphere
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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 rotational kinetic energy of
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a group of aspherical particles.
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</P>
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<P>The rotational kinetic energy is computed as 1/2 I w^2, where I is the
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inertia tensor for the aspherical particle and w is its angular
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velocity, which is computed from its angular momentum.
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</P>
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<P>IMPORTANT NOTE: For <A HREF = "dimension.html">2d models</A>, particles are treated
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as ellipsoids, not ellipses, meaning their moments of inertia will be
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the same as in 3d.
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</P>
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<P><B>Output info:</B>
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</P>
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<P>The scalar value calculated by this compute is "extensive", meaning it
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it scales with the number of atoms in the simulation.
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</P>
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<P><B>Restrictions:</B>
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</P>
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<P>This compute requires that particles be represented as extended
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ellipsoids and not point particles. This means they will have an
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angular momentum and a shape which is determined by the
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<A HREF = "shape.html">shape</A> command.
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</P>
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<P><B>Related commands:</B> none
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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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