Move enerdata ownership to mdrunner
commitf5cffcadf96109c41f892db90177fc2a7a115dbc
authorMark Abraham <mark.j.abraham@gmail.com>
Sun, 31 Mar 2019 16:52:05 +0000 (31 18:52 +0200)
committerMark Abraham <mark.j.abraham@gmail.com>
Mon, 1 Apr 2019 12:43:37 +0000 (1 14:43 +0200)
tree06530c3504f4b93d9bc2661cdef270159a3f0010
parent0b25ff6b61fecb65d8f26dc18e2744c3756d3dc0
Move enerdata ownership to mdrunner

All the things managed by runner need a gmx_enerdata_t, so consolidate
the management of its lifetime. This prepares for modularization of
code that requires one of these.

Change-Id: Ibbf03c17beecb53039bb50a5ef6462925d777b52
src/gromacs/mdrun/integrator.h
src/gromacs/mdrun/md.cpp
src/gromacs/mdrun/mimic.cpp
src/gromacs/mdrun/minimize.cpp
src/gromacs/mdrun/rerun.cpp
src/gromacs/mdrun/runner.cpp
src/gromacs/mdrun/tpi.cpp