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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4670 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2010-09-02 23:27:22 +00:00
parent 0aaa9f43f7
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doc/dump.html
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@ -108,16 +108,22 @@ on timesteps when neighbor lists are rebuilt, the coordinates of an
atom written to a dump file may be slightly outside the simulation
box.
</P>
<P>When LAMMPS is running in parallel, the atom information written to
dump files (typically one line per atom) may be written in an
indeterminate order. This is because data for a single snapshot is
collected from multiple processors. This is always the case for the
<I>atom</I>, <I>local</I>, and <I>custom</I> styles. It is also the case for the
<I>xyz</I> style if the dump group is not <I>all</I>. It is not the case for
the <I>dcd</I> and <I>xtc</I> styles which always write atoms in sorted order.
So does the <I>xyz</I> style if the dump group is <I>all</I>. The <I>cfg</I> style
supports the <I>sort</I> option of the <A HREF = "dump_modify.html">dump_modify</A>
command which allows sorting to be turned on or off.
<P>When LAMMPS is running on a single processor, if the <A HREF = "atom_modify.html">atom_modify
sort</A> option is on, which it is by default, then
atoms are re-ordered periodically during a simulation, due to spatial
sorting, and hence the atom information written to dump files
(typically one line per atom) will be in an indeterminate order for
each snapshot.
</P>
<P>When LAMMPS is running in parallel, this is also true, both due to
sorting and because data for a single snapshot is collected from
multiple processors. This is the case for the <I>atom</I>, <I>local</I>, and
<I>custom</I> styles. It is also the case for the <I>xyz</I> style if the dump
group is not <I>all</I>. It is not the case for the <I>dcd</I> and <I>xtc</I> styles
which always write atoms in sorted order. So does the <I>xyz</I> style if
the dump group is <I>all</I>. The <I>cfg</I> style supports the <I>sort</I> option
of the <A HREF = "dump_modify.html">dump_modify</A> command which allows sorting to
be turned on or off.
</P>
<HR>