From e53862ca4a23e32b809f228cf5c77ebd6e857ca2 Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Sun, 11 Sep 2016 14:55:13 -0400 Subject: [PATCH] update html file updated boundary.txt file --- doc/html/boundary.html | 10 +++++++++- 1 file changed, 9 insertions(+), 1 deletion(-) diff --git a/doc/html/boundary.html b/doc/html/boundary.html index 75b29e927c..4166285302 100644 --- a/doc/html/boundary.html +++ b/doc/html/boundary.html @@ -173,7 +173,15 @@ you have set the

For style s, the position of the face is set so as to encompass the atoms in that dimension (shrink-wrapping), no matter how far they -move.

+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 m style boundaries +(see below).

For style m, shrink-wrapping occurs, but is bounded by the value specified in the data or restart file or set by the create_box command. For example, if the upper z