Introduced DDAtomRanges class
commit4e35ec4f3999c8dc6bb51697e1bedffd96203177
authorBerk Hess <hess@kth.se>
Wed, 30 May 2018 12:40:39 +0000 (30 14:40 +0200)
committerMark Abraham <mark.j.abraham@gmail.com>
Thu, 14 Jun 2018 06:43:28 +0000 (14 08:43 +0200)
treef6b4944176df64d863e1ebe6ca9c5bc885292276
parentdd0560e41124a9a39cabdc5e178184d4f812031a
Introduced DDAtomRanges class

Replaces manually managed atom range data.
A consistency check for range setting order will be added later.

Change-Id: I1cc502ff3a1e596ac676b376b30f46ba485eda17
12 files changed:
src/gromacs/domdec/collect.cpp
src/gromacs/domdec/distribute.cpp
src/gromacs/domdec/domdec.cpp
src/gromacs/domdec/domdec.h
src/gromacs/domdec/domdec_internal.h
src/gromacs/domdec/domdec_struct.h
src/gromacs/domdec/redistribute.cpp
src/gromacs/ewald/pme-pp.cpp
src/gromacs/mdlib/constr.cpp
src/gromacs/mdlib/lincs.cpp
src/gromacs/mdlib/mdsetup.cpp
src/gromacs/mdlib/shellfc.cpp