Extact UnitCellInfo from gmx_domdec_t
authorBerk Hess <hess@kth.se>
Tue, 3 Sep 2019 07:40:10 +0000 (09:40 +0200)
committerSzilárd Páll <pall.szilard@gmail.com>
Tue, 3 Sep 2019 14:08:49 +0000 (16:08 +0200)
commitf9efa33b8d372a8baf035c0a233caacb940bf303
treecb9fa64bbb6b3a6c1b75da315aac281d209c706d
parent6cb31a6bd414603afa77ce883b9918f41151a93e
Extact UnitCellInfo from gmx_domdec_t

This required adding an explicit constructor for gmx_domdec_t,
which is currently incomplete.

Change-Id: Iba39fec36945465bffaf97d499c56501500ecb3b
src/gromacs/domdec/box.cpp
src/gromacs/domdec/box.h
src/gromacs/domdec/distribute.cpp
src/gromacs/domdec/domdec.cpp
src/gromacs/domdec/domdec_specatomcomm.cpp
src/gromacs/domdec/domdec_struct.h
src/gromacs/domdec/dump.cpp
src/gromacs/domdec/partition.cpp
src/gromacs/domdec/redistribute.cpp