Convert nbnxn search,grid,atomdata to C++
commit0f0053fb631e26582e7def9fa95acd34610c7abe
authorErik Lindahl <erik@kth.se>
Tue, 7 Jul 2015 19:19:00 +0000 (7 21:19 +0200)
committerGerrit Code Review <gerrit@gerrit.gromacs.org>
Tue, 22 Sep 2015 11:00:10 +0000 (22 13:00 +0200)
treee63a29af5626b3b1c27dcfc54df7c60252edfd60
parente1b62d4f675b3de3e67929ad458c4043870e445e
Convert nbnxn search,grid,atomdata to C++

Move iteration variables into loops, use
cmath/algorithm, and std::max/min.
Remove extern "C" from include files.

Change-Id: I14e0d6e6ca92a41df243bbef4d2f8f0a16507c13
src/gromacs/mdlib/nbnxn_atomdata.cpp [moved from src/gromacs/mdlib/nbnxn_atomdata.c with 89% similarity]
src/gromacs/mdlib/nbnxn_atomdata.h
src/gromacs/mdlib/nbnxn_grid.cpp [moved from src/gromacs/mdlib/nbnxn_grid.c with 85% similarity]
src/gromacs/mdlib/nbnxn_grid.h
src/gromacs/mdlib/nbnxn_search.cpp [moved from src/gromacs/mdlib/nbnxn_search.c with 93% similarity]
src/gromacs/mdlib/nbnxn_search.h