Change nbnxn grid reallocation
commit0bd2e682a84d5befdd84e8fa0251594a404a6eda
authorBerk Hess <hess@kth.se>
Fri, 18 May 2018 05:52:32 +0000 (18 07:52 +0200)
committerMark Abraham <mark.j.abraham@gmail.com>
Tue, 22 May 2018 20:11:43 +0000 (22 22:11 +0200)
tree3234c28898dcadf4a945d23ffb02311c42592bfd
parentb9b766d46e9475a8c5732d704780b9b64efb3a32
Change nbnxn grid reallocation

The nbnxn grid memory reallocation now happens right before access
and with the exact amount needed instead of overallocating.

Change-Id: Iacc7c4de736765709fe841dd9b1aef9d3d77f7c9
src/gromacs/mdlib/nbnxn_atomdata.cpp
src/gromacs/mdlib/nbnxn_grid.cpp