update html file updated boundary.txt file

This commit is contained in:
Axel Kohlmeyer 2016-09-11 14:55:13 -04:00
parent a64eb330e3
commit e53862ca4a
1 changed files with 9 additions and 1 deletions

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@ -173,7 +173,15 @@ you have set the <a class="reference internal" href="thermo_modify.html"><span c
allow for lost atoms.</p>
<p>For style <em>s</em>, the position of the face is set so as to encompass the
atoms in that dimension (shrink-wrapping), no matter how far they
move.</p>
move. Note that when the difference between the current box dimensions
and the shrink-wrap box dimensions is large, this can lead to lost
atoms at the beginning of a run when running in parallel. This is due
to the large change in the (global) box dimensions also causing
significant changes in the individual sub-domain sizes. If these
changes are farther than the communication cutoff, atoms will be lost.
This is best addressed by setting initial box dimensions to match the
shrink-wrapped dimensions more closely, by using <em>m</em> style boundaries
(see below).</p>
<p>For style <em>m</em>, shrink-wrapping occurs, but is bounded by the value
specified in the data or restart file or set by the
<a class="reference internal" href="create_box.html"><span class="doc">create_box</span></a> command. For example, if the upper z