Fix allocation issue with VV integrator
authorBerk Hess <hess@kth.se>
Mon, 12 Jan 2015 14:24:35 +0000 (15:24 +0100)
committerGerrit Code Review <gerrit@gerrit.gromacs.org>
Thu, 15 Jan 2015 10:04:21 +0000 (11:04 +0100)
commit78ae40d47bee7ce9b0f35109c45570f6ed973b75
tree710ba24f548613c73f435f2e5e0f97fb282bba38
parent84cf8a8f8b1f0d0f7279d78941a90424c900d7eb
Fix allocation issue with VV integrator

Allocation of temp buffers for VV and VVAK now uses state->natoms
instead of top_global->natoms.
Fixes #1669.

Change-Id: I64947405c138f601db7daa4f9628a04cff9fa8bb
src/programs/mdrun/md.c