Make nbnxn_grid_t counts and sizes arrays
commit893eb8e85ad94831eed37cbb8aa10930c014b0fe
authorBerk Hess <hess@kth.se>
Mon, 21 May 2018 20:42:49 +0000 (21 22:42 +0200)
committerMark Abraham <mark.j.abraham@gmail.com>
Tue, 5 Jun 2018 08:53:58 +0000 (5 10:53 +0200)
tree6da81f1fcb6719cab68a7d97c89b6680c8814497
parent143ab3d68e69d7b80f004c0824faaccc10489aa9
Make nbnxn_grid_t counts and sizes arrays

This enables templating on the dimension.
Also put the cell index storing and atom counting together in
a separate function, since these need to be consistent.

Change-Id: I9931ff258a90a6ea5af788b7ec3e56d32859e47b
src/gromacs/mdlib/nbnxn_atomdata.cpp
src/gromacs/mdlib/nbnxn_grid.cpp
src/gromacs/mdlib/nbnxn_internal.h
src/gromacs/mdlib/nbnxn_search.cpp