forked from lijiext/lammps
54 lines
1.3 KiB
HTML
54 lines
1.3 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 ke/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 ke/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>ke/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 ke/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 translational
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kinetic energy for each atom in a group.
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</P>
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<P>The kinetic energy is simply 1/2 m v^2, where m is the mass and v is
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the velocity of each atom.
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</P>
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<P>The value of the kinetic energy will be 0.0 for atoms not in the
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specified 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 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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<A HREF = "Section_howto.html#howto_15">Section_howto 15</A> for an overview of
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LAMMPS output options.
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</P>
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<P>The per-atom vector values will be in energy <A HREF = "units.html">units</A>.
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</P>
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<P><B>Restrictions:</B> none
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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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