Refactored pull data structures
authorBerk Hess <hess@kth.se>
Mon, 13 Apr 2015 08:55:04 +0000 (10:55 +0200)
committerGerrit Code Review <gerrit@gerrit.gromacs.org>
Wed, 17 Jun 2015 10:34:55 +0000 (12:34 +0200)
commit66a0ae9d666811dada6df6f39e6f5c8d5f19f11f
treee7d9f0cb2898956d98753ca4040b9d7b0a065150
parentabc4a076b28c2f22f0eedba4501bd6d6814f499f
Refactored pull data structures

Moved the pull work variables into a new pull_t struct.
Only the pull input parameters remain in (renamed) pull_params_t.
For the moment struct pull_t pull_work is still present in t_inputrec.
This should later be moved to a more appropriate place.

Change-Id: I78f6f9736d52514f0327c86e43d4fb2ac88d60cd
19 files changed:
src/gromacs/domdec/domdec.cpp
src/gromacs/fileio/tpxio.c
src/gromacs/gmxlib/txtdump.c
src/gromacs/gmxlib/typedefs.c
src/gromacs/gmxpreprocess/readir.c
src/gromacs/gmxpreprocess/readir.h
src/gromacs/gmxpreprocess/readpull.c
src/gromacs/legacyheaders/types/inputrec.h
src/gromacs/mdlib/broadcaststructs.cpp
src/gromacs/mdlib/constr.cpp
src/gromacs/mdlib/mdebin.c
src/gromacs/mdlib/sim_util.cpp
src/gromacs/pulling/pull.cpp
src/gromacs/pulling/pull.h
src/gromacs/pulling/pull_internal.h [new file with mode: 0644]
src/gromacs/pulling/pullutil.cpp
src/gromacs/tools/compare.c
src/programs/mdrun/md.cpp
src/programs/mdrun/runner.cpp