Fix simulated annealing and add test
authorPaul Bauer <paul.bauer.q@gmail.com>
Tue, 19 Mar 2019 09:46:06 +0000 (10:46 +0100)
committerMark Abraham <mark.j.abraham@gmail.com>
Tue, 2 Apr 2019 13:18:38 +0000 (15:18 +0200)
commit2404693ffd11a3208a82433dd5b7dedc25b4bda6
treebf88225cd730d11d69868e3f0a7449596d6c47d3
parentd8d9b66ca33e423ca09079e5f9294ca872d61ca5
Fix simulated annealing and add test

Refs #2871

Change-Id: Ibde5226a664d3d4d5558477fdf9b81e1219a5295
src/gromacs/gmxpreprocess/readir.cpp
src/gromacs/mdtypes/inputrec.cpp
src/programs/mdrun/tests/grompp.cpp