Enable SIMD version of update
authorBerk Hess <hess@kth.se>
Wed, 2 May 2018 14:36:01 +0000 (16:36 +0200)
committerBerk Hess <hess@kth.se>
Thu, 3 May 2018 12:33:16 +0000 (14:33 +0200)
commitdb33bb790d03a97604764514f396bcde025530db
tree53fbc0905e002ba08461118b14944caada666fcb
parent371b4449639bbbb1e8ec269a9d6f3de6bdfd0d26
Enable SIMD version of update

A bug in setting mdatoms->havePartiallyFrozenAtoms caused the SIMD
version of the leap-frog update to always be deactivated.

Fixes #2497

Change-Id: I670549c95c983cac5033ea6bb71b77561e063223
docs/release-notes/2018/2018.2.rst
src/gromacs/mdlib/mdatoms.cpp