Enforced rotation: started to implement mass-weighted potentials
commitc9c821a921d3cb8e62ad104d912f9b0343483045
authorCarsten Kutzner <ckutzne@ckutzne.mpibpc.intern>
Thu, 29 Apr 2010 09:51:17 +0000 (29 11:51 +0200)
committerCarsten Kutzner <ckutzne@ckutzne.mpibpc.intern>
Thu, 29 Apr 2010 09:51:17 +0000 (29 11:51 +0200)
tree9fa56f77bb47d0e31f83284ce4bd053038ebaf5f
parent4a00158302dbe8024cb405ed27380059abc35c2b
parent954f5773715fa288dd563be92a6ee66cbea8cf1b
Enforced rotation: started to implement mass-weighted potentials
22 files changed:
include/pull_rotation.h
include/types/enums.h
include/types/inputrec.h
src/gmxlib/mvdata.c
src/gmxlib/names.c
src/gmxlib/network.c
src/gmxlib/tpxio.c
src/gmxlib/txtdump.c
src/kernel/Makefile.am
src/kernel/grompp.c
src/kernel/mdrun.c
src/kernel/readir.c
src/kernel/readir.h
src/kernel/readrot.c
src/kernel/runner.c
src/mdlib/Makefile.am
src/mdlib/domdec.c
src/mdlib/gmx_wallcycle.c
src/mdlib/mdebin.c
src/mdlib/pull_rotation.c
src/mdlib/sim_util.c
src/tools/gmx_tune_pme.c