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Added note on triclinic deformations and skew

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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8485 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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athomps
2012-07-16 15:32:31 +00:00
parent 95e51c0cda
commit 0505a48409
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10
doc/change_box.html
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@ -127,6 +127,16 @@ changed from its initial 3d configuration; see the
changes dramatically, the mapping of processors to the simulation box
may not end up as optimal as the initial mapping attempted to be.
</P>
<P>IMPORTANT NOTE: Because the keywords used in this command are
applied sequentially to the simulation box and the atoms in it,
in the order specified, special care must be taken with triclinic
cells to avoid exceeding the limits on skew after each transformation
in the sequence. If skew is exceeded before the final transformation
this can be avoided by changing the order of the sequence, or breaking
the transformation up in to two or more smaller transformations. For more
information on the allowed limits for box skew see the
the doc page for <A HREF = "fix_deform.html">fix deform</A>.
</P>
<HR>
<P>For the <I>x</I>, <I>y</I>, and <I>z</I> parameters, this is the meaning of their

10
doc/change_box.txt
View File

@ -119,6 +119,16 @@ changed from its initial 3d configuration; see the
changes dramatically, the mapping of processors to the simulation box
may not end up as optimal as the initial mapping attempted to be.
IMPORTANT NOTE: Because the keywords used in this command are
applied sequentially to the simulation box and the atoms in it,
in the order specified, special care must be taken with triclinic
cells to avoid exceeding the limits on skew after each transformation
in the sequence. If skew is exceeded before the final transformation
this can be avoided by changing the order of the sequence, or breaking
the transformation up in to two or more smaller transformations. For more
information on the allowed limits for box skew see the
the doc page for "fix deform"_fix_deform.html.
:line
For the {x}, {y}, and {z} parameters, this is the meaning of their