2007-09-28 07:28:06 +08:00
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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 sum/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 sum/atom compute-ID1 compute-ID2 ...
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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>sum/atom = style name of this compute command
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<LI>compute-ID1, 2, ... = IDs of computes that calculate per-atom quantities
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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 sum/atom atomKE atomEpair atomEbond
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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 sums the results of two or more other
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computes for each atom in a group. This is useful for summing atom
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properties such as pairwise energy, bond energy, kinetic energy, etc.
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The resulting values can be accessed by any command that uses per-atom
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computes, e.g. the <A HREF = "dump.html">dump custom</A> command or <A HREF = "fix_ave_spatial.html">fix
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ave/spatial</A> command or <A HREF = "fix_ave_atom.html">fix
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ave/atom</A> command.
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</P>
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<P>The result of this compute depends on the results generated by the
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other computes that it invokes. E.g. if the other computes each
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generate a scalar value per atom, so will this compute. If the other
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computes each generate a vector of values per atom, so will this
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compute. In the latter case, all the other computes must generate
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2007-10-27 04:53:08 +08:00
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per-atom vectors of the same size.
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2007-09-28 07:28:06 +08:00
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</P>
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<P><B>Restrictions:</B> none
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</P>
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2007-10-27 04:42:35 +08:00
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<P><B>Related commands:</B>
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</P>
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<P><A HREF = "compute_sum.html">compute sum</A>
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2007-09-28 07:28:06 +08:00
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</P>
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<P><B>Default:</B> none
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</P>
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