Fix Trotter integration
commit35a893d52e2bcaae8f157036f881f8522095bbf1
authorMark Abraham <mark.j.abraham@gmail.com>
Tue, 1 Dec 2015 03:11:04 +0000 (1 04:11 +0100)
committerMark Abraham <mark.j.abraham@gmail.com>
Tue, 8 Dec 2015 04:50:11 +0000 (8 15:50 +1100)
tree3c1c8c342eb13b9d1f8741f0fd220788521832d2
parent7811db9f7643577b1598e6ee02c74d9623c4a197
Fix Trotter integration

Re-using the iteration variable in an inner scope could have produced
any manner of nonsense. Luckily it was only broken for md-vv with NPT
and more than one temperature-coupling group.

Fixes #1872

Change-Id: If22849e40a0253ba1fa4bbc1dba78b80d17cf4d1
src/gromacs/mdlib/coupling.c