Apply local atom sets in pull code
commitf6157a27a1c163124a8860983153de987936f57c
authorBerk Hess <hess@kth.se>
Wed, 25 Apr 2018 07:58:21 +0000 (25 09:58 +0200)
committerMark Abraham <mark.j.abraham@gmail.com>
Wed, 18 Jul 2018 10:17:06 +0000 (18 12:17 +0200)
treee57f440bb9893171dc4849f34b4f6052457c4d4d
parent4b10abd6b60b91cd474a0898f6b0e5e611f08b71
Apply local atom sets in pull code

Reduces the dependency of the domain decomposition code on the pull
code.

The local cylinder group now contains all local atom of the group,
no longer only the atoms within the cylinder radius.

Converted pull_group_work_t to C++ since LocalAtomSet requires this.

Change-Id: Ia022f8cea9970dc973d8869a4ca96644a266003b
src/gromacs/domdec/domdec.cpp
src/gromacs/gmxpreprocess/readpull.cpp
src/gromacs/mdrun/runner.cpp
src/gromacs/pulling/pull.cpp
src/gromacs/pulling/pull.h
src/gromacs/pulling/pull_internal.h
src/gromacs/pulling/pullutil.cpp