Clean up remnants in mdrun
authorMark Abraham <mark.j.abraham@gmail.com>
Sun, 19 Apr 2015 12:15:06 +0000 (14:15 +0200)
committerGerrit Code Review <gerrit@gerrit.gromacs.org>
Mon, 27 Apr 2015 16:10:58 +0000 (18:10 +0200)
commit07584c77d0534ec4e260a0147069f234b0e7d2d1
tree5d7b80aadf574b55c3a54b2b44f4116924423ac0
parent09cd59227cf11f32eec8f4564b19d263c4b70db4
Clean up remnants in mdrun

nstlist < 0 is now impossible after the removal of group-scheme
heuristic neighbour-list updates, so remove some output that can no
longer be triggered.

Iterated constraints are no longer implemented, but some things got
left behind in the removal. Removed ekind_save variable from do_md,
and some comments. Removed some brace pairs that made reviewing the
removal of iterative integrators easy, because uncrustify would not
re-indent that patch. It now does that re-indent, but there's no
potential for bugs here.

deviceOptions was used for OpenMM support, but is now unused, so
removed.

GMX_WRITELASTSTEP has never had a way to be defined, so removed the
check for that.

Change-Id: If547b86a5ec05dce3bb591b8d4c6dd052c07c04e
src/gromacs/fileio/trajectory_writing.c
src/gromacs/legacyheaders/mdrun.h
src/gromacs/mdlib/minimize.cpp
src/gromacs/mdlib/tpi.cpp
src/programs/mdrun/md.cpp
src/programs/mdrun/mdrun.cpp
src/programs/mdrun/runner.cpp