forked from lijiext/lammps
54 lines
1.5 KiB
HTML
54 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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</CENTER>
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<HR>
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<H3>compute temp/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 temp/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>temp/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 temp/asphere
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compute myTemp mobile temp/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 temperature of a group of
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aspherical or ellipsoidal particles. The computation is similar to
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<A HREF = "compute_temp.html">compute_temp</A>, however, additional degrees of
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freedom (2 or 3) are incorporated for particles where the principal
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moments of inertia are unequal. The associated kinetic energy thus
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includes a rotational term KE_rotational = 1/2 I w^2, where I is the
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moment of inertia and w is the angular velocity.
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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 "intensive", meaning it
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is independent of the number of atoms in the simulation. The vector
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values are "extensive", meaning they scale with the number of atoms in
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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>Can only be used if LAMMPS was built with the "asphere" package.
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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 = "compute_temp.html">compute temp</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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