Add nbnxm GridSet class
authorBerk Hess <hess@kth.se>
Mon, 11 Mar 2019 14:07:47 +0000 (15:07 +0100)
committerBerk Hess <hess@kth.se>
Thu, 14 Mar 2019 10:39:14 +0000 (11:39 +0100)
commit8a6d74b6831dd6615327753d19feac8c2611b14d
tree471249bf4f3b3b64221511702abf86f081d45f98
parentd5045b3d496a197451c34310fd584b560bc5ff25
Add nbnxm GridSet class

Collected all data that is shared between nbnxm grids to a new class
called GridSet.

TODO: Turn nbnxn_search into a class and move some functions

Change-Id: Iae0dc988d88310d88e0541656f896e552cd19260
src/gromacs/domdec/partition.cpp
src/gromacs/nbnxm/atomdata.cpp
src/gromacs/nbnxm/grid.cpp
src/gromacs/nbnxm/grid.h
src/gromacs/nbnxm/gridset.cpp [new file with mode: 0644]
src/gromacs/nbnxm/gridset.h [new file with mode: 0644]
src/gromacs/nbnxm/internal.h
src/gromacs/nbnxm/nbnxm.h
src/gromacs/nbnxm/pairlist.cpp