fixed DD internal state corruption with energy minimization
authorBerk Hess <hess@kth.se>
Mon, 3 Jun 2013 18:56:19 +0000 (20:56 +0200)
committerGerrit Code Review <gerrit@gerrit.gromacs.org>
Wed, 5 Jun 2013 13:58:19 +0000 (15:58 +0200)
commitec49c7fa35c551ec7e9ef936ad48d3f2dd3efacd
tree8823c874a3a86b049f6ee03450637c96e9c1317a
parent6c716dd6cf2cb18cedd50322af8d4600494adefd
fixed DD internal state corruption with energy minimization

With energy minimization we need to reload old DD states after
steps are rejected. There were two bookkeeping issues in the reload.
This could lead to all kinds of, but no silent, errors.
Fixes #1272

Change-Id: Ia44c3bad27f3efdee76fa93dd281690e44dde700
src/mdlib/domdec.c