From c9a0d38a3effa82a95decbfaa3a8145aa0545260 Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer <akohlmey@gmail.com> Date: Mon, 10 Jul 2017 17:34:00 -0400 Subject: [PATCH] mention restriction for use with fix shake or fix rigid in fix gcmc docs --- doc/src/fix_gcmc.txt | 3 +++ 1 file changed, 3 insertions(+) diff --git a/doc/src/fix_gcmc.txt b/doc/src/fix_gcmc.txt index 41ec38cffb..405738276f 100644 --- a/doc/src/fix_gcmc.txt +++ b/doc/src/fix_gcmc.txt @@ -383,6 +383,9 @@ called. Reneighboring is required. Can be run in parallel, but aspects of the GCMC part will not scale well in parallel. Only usable for 3D simulations. +When using fix gcmc in combination with fix shake or fix rigid, +only gcmc exchange moves are supported. + Note that very lengthy simulations involving insertions/deletions of billions of gas molecules may run out of atom or molecule IDs and trigger an error, so it is better to run multiple shorter-duration -- GitLab