Simplify PME data handling in runner
commit5ec4eb24d033403f4a051365f1d117f5f6cb6a64
authorAleksei Iupinov <a.yupinov@gmail.com>
Thu, 26 Oct 2017 15:04:34 +0000 (26 17:04 +0200)
committerAleksei Iupinov <a.yupinov@gmail.com>
Mon, 30 Oct 2017 07:32:41 +0000 (30 08:32 +0100)
tree6885f48a8fd7f8d6d727e1b4600a76287e8fc867
parent6782c786ca47104d84cedc79d96a1680c33ab886
Simplify PME data handling in runner

Differing ownership of the PME data for PME-only and other ranks
is now hidden behind a reference. gmx_pme_init() now returns
a pointer to the allocated structure.

Change-Id: Ia9c5117a0db43a6564298dd621cf9254f0423acf
src/gromacs/ewald/pme.cpp
src/gromacs/ewald/pme.h
src/gromacs/ewald/tests/pmetestcommon.cpp
src/programs/mdrun/runner.cpp