Local atom sets in compEL / ion swapping code.
authorChristian Blau <cblau@gwdg.de>
Wed, 14 Mar 2018 12:33:23 +0000 (13:33 +0100)
committerMark Abraham <mark.j.abraham@gmail.com>
Tue, 7 Aug 2018 07:21:56 +0000 (09:21 +0200)
commitcdbc0e9c9049470f337294a7057a64b0ee791c96
tree980b275647f5aa88234edd64d7bc7556759ad7ce
parent034a70705d91f2c799e412c0f554510f8a39a2af
Local atom sets in compEL / ion swapping code.

Local atom sets remove depency of domain decomposition on the
computational electrophysiology modules and handle atom index updates
outside of this module.

Additional refactoring, because swap_group has to be a C++ struct now.

Refers to #1972

Change-Id: Ic6ee2a71f5c5c11e161fa26aafbed2764e014daa
docs/doxygen/cycle-suppressions.txt
src/gromacs/domdec/domdec.cpp
src/gromacs/mdlib/groupcoord.cpp
src/gromacs/mdrun/md.cpp
src/gromacs/mdrun/runner.cpp
src/gromacs/swap/swapcoords.cpp
src/gromacs/swap/swapcoords.h