Allow AWH geometry 'direction' to be periodic
authorBerk Hess <hess@kth.se>
Mon, 13 May 2019 12:39:16 +0000 (14:39 +0200)
committerMark Abraham <mark.j.abraham@gmail.com>
Tue, 11 Jun 2019 07:20:56 +0000 (09:20 +0200)
commit11be00e412e2fe2375ab0da2726660469c8173b3
tree39654701ae6c138a3bdc15a03d9bc3ea563ef3ed
parentd886cc0820aa862f20aa4cb546d6de789f031b31
Allow AWH geometry 'direction' to be periodic

When an AWH dimension with pull geometry 'direction' has an interval
length (nearly) matching the periodic unit cell dimension, it is now
made periodic.

Fixes #2946

Change-Id: I9a09b8eb7464e04bd3d72059324bceb590e531f5
docs/release-notes/2019/2019.3.rst
docs/user-guide/mdp-options.rst
src/gromacs/awh/read-params.cpp
src/gromacs/awh/read-params.h
src/gromacs/gmxpreprocess/grompp.cpp