Change grid pointers in nbnxn search to references
commit90007c25a0bbbce4893f16df3c2a06c2918b08dc
authorBerk Hess <hess@kth.se>
Thu, 20 Dec 2018 20:51:55 +0000 (20 21:51 +0100)
committerMark Abraham <mark.j.abraham@gmail.com>
Thu, 10 Jan 2019 14:31:02 +0000 (10 15:31 +0100)
tree783f2c7d6beaa1892a4ab8fcdde43e616cfa39f2
parent5023601307ea4a905e19d83113c2ac43aaf0d71e
Change grid pointers in nbnxn search to references

While modifying the makeClusterList function arguments,
also unified the diagonal exclusion handling so the logic
is in one place instead of 10.

Change-Id: Ia35d56540968843e10f1e9d43f13a8b116b7b759
src/gromacs/mdlib/nbnxn_search.cpp
src/gromacs/mdlib/nbnxn_search_simd_2xnn.h
src/gromacs/mdlib/nbnxn_search_simd_4xn.h