Public Git Hosting - gromacs.git/commit

commit	c7a82654f2eb8992067079c3196f59d69e3f95f6
author	Michael Shirts <michael.shirts@virginia.edu>
	Tue, 17 Jan 2012 14:51:13 +0000 (17 09:51 -0500)
committer	Michael Shirts <michael.shirts@virginia.edu>
	Mon, 4 Jun 2012 22:32:25 +0000 (5 00:32 +0200)
tree	6cb61611919715fd635a15c730ebda779b917949	tree \| snapshot (tar.gz zip)
parent	be6f36b4534e6b13837201d1c565d4d25d341c3f	commit \| diff

Merging in free energy, exp. ensemble, & andersen t-control to 4.6

Conflicts:
src/gmxlib/mvdata.c
src/gmxlib/txtdump.c
src/kernel/readir.c
src/mdlib/sim_util.c
src/tools/gmx_membed.c
include/mdrun.h
src/kernel/md.c
src/kernel/md_openmm.c
src/kernel/md_openmm.h
src/kernel/runner.c
src/mdlib/minimize.c
src/mdlib/tpi.c
src/tools/gmx_membed.c
src/kernel/md.c

Change-Id: Ide69a8dbfb96072d5c55d0a051dc9db788cbe144

89 files changed:

include/bondf.h		diff \| blob \| blame \| history
include/checkpoint.h		diff \| blob \| blame \| history
include/constr.h		diff \| blob \| blame \| history
include/dihre.h	[deleted file]	blob \| blame \| history
include/force.h		diff \| blob \| blame \| history
include/mdebin.h		diff \| blob \| blame \| history
include/mdrun.h		diff \| blob \| blame \| history
include/names.h		diff \| blob \| blame \| history
include/nonbonded.h		diff \| blob \| blame \| history
include/ns.h		diff \| blob \| blame \| history
include/pull.h		diff \| blob \| blame \| history
include/tpxio.h		diff \| blob \| blame \| history
include/trnio.h		diff \| blob \| blame \| history
include/typedefs.h		diff \| blob \| blame \| history
include/types/enums.h		diff \| blob \| blame \| history
include/types/fcdata.h		diff \| blob \| blame \| history
include/types/forcerec.h		diff \| blob \| blame \| history
include/types/idef.h		diff \| blob \| blame \| history
include/types/inputrec.h		diff \| blob \| blame \| history
include/types/state.h		diff \| blob \| blame \| history
include/types/trx.h		diff \| blob \| blame \| history
include/update.h		diff \| blob \| blame \| history
share/README_FreeEnergyModifications.txt	[new file with mode: 0644]	blob
share/html/online/g_energy.html		diff \| blob \| blame \| history
share/html/online/mdp_opt.html		diff \| blob \| blame \| history
share/html/online/mdrun.html		diff \| blob \| blame \| history
src/gmxlib/bondfree.c		diff \| blob \| blame \| history
src/gmxlib/checkpoint.c		diff \| blob \| blame \| history
src/gmxlib/dihres.c	[deleted file]	blob \| blame \| history
src/gmxlib/enxio.c		diff \| blob \| blame \| history
src/gmxlib/ifunc.c		diff \| blob \| blame \| history
src/gmxlib/inputrec.c		diff \| blob \| blame \| history
src/gmxlib/mvdata.c		diff \| blob \| blame \| history
src/gmxlib/names.c		diff \| blob \| blame \| history
src/gmxlib/nonbonded/nb_free_energy.c		diff \| blob \| blame \| history
src/gmxlib/nonbonded/nb_free_energy.h		diff \| blob \| blame \| history
src/gmxlib/nonbonded/nonbonded.c		diff \| blob \| blame \| history
src/gmxlib/nrnb.c		diff \| blob \| blame \| history
src/gmxlib/topsort.c		diff \| blob \| blame \| history
src/gmxlib/tpxio.c		diff \| blob \| blame \| history
src/gmxlib/trxio.c		diff \| blob \| blame \| history
src/gmxlib/txtdump.c		diff \| blob \| blame \| history
src/gmxlib/typedefs.c		diff \| blob \| blame \| history
src/kernel/compute_io.c		diff \| blob \| blame \| history
src/kernel/convparm.c		diff \| blob \| blame \| history
src/kernel/gmxcheck.c		diff \| blob \| blame \| history
src/kernel/grompp.c		diff \| blob \| blame \| history
src/kernel/md.c		diff \| blob \| blame \| history
src/kernel/md_openmm.c		diff \| blob \| blame \| history
src/kernel/md_openmm.h		diff \| blob \| blame \| history
src/kernel/mdrun.c		diff \| blob \| blame \| history
src/kernel/readir.c		diff \| blob \| blame \| history
src/kernel/readir.h		diff \| blob \| blame \| history
src/kernel/readpull.c		diff \| blob \| blame \| history
src/kernel/repl_ex.c		diff \| blob \| blame \| history
src/kernel/repl_ex.h		diff \| blob \| blame \| history
src/kernel/runner.c		diff \| blob \| blame \| history
src/kernel/tpbcmp.c		diff \| blob \| blame \| history
src/kernel/tpbconv.c		diff \| blob \| blame \| history
src/mdlib/constr.c		diff \| blob \| blame \| history
src/mdlib/coupling.c		diff \| blob \| blame \| history
src/mdlib/domdec.c		diff \| blob \| blame \| history
src/mdlib/domdec_top.c		diff \| blob \| blame \| history
src/mdlib/expanded.c	[new file with mode: 0644]	blob
src/mdlib/force.c		diff \| blob \| blame \| history
src/mdlib/forcerec.c		diff \| blob \| blame \| history
src/mdlib/init.c		diff \| blob \| blame \| history
src/mdlib/md_support.c		diff \| blob \| blame \| history
src/mdlib/mdebin.c		diff \| blob \| blame \| history
src/mdlib/mdebin_bar.c		diff \| blob \| blame \| history
src/mdlib/mdebin_bar.h		diff \| blob \| blame \| history
src/mdlib/minimize.c		diff \| blob \| blame \| history
src/mdlib/ns.c		diff \| blob \| blame \| history
src/mdlib/partdec.c		diff \| blob \| blame \| history
src/mdlib/pull.c		diff \| blob \| blame \| history
src/mdlib/shellfc.c		diff \| blob \| blame \| history
src/mdlib/sim_util.c		diff \| blob \| blame \| history
src/mdlib/stat.c		diff \| blob \| blame \| history
src/mdlib/tgroup.c		diff \| blob \| blame \| history
src/mdlib/tpi.c		diff \| blob \| blame \| history
src/mdlib/update.c		diff \| blob \| blame \| history
src/mdlib/wall.c		diff \| blob \| blame \| history
src/tools/addconf.c		diff \| blob \| blame \| history
src/tools/calcpot.c		diff \| blob \| blame \| history
src/tools/expfit.c		diff \| blob \| blame \| history
src/tools/gmx_bar.c		diff \| blob \| blame \| history
src/tools/gmx_disre.c		diff \| blob \| blame \| history
src/tools/gmx_energy.c		diff \| blob \| blame \| history
src/tools/mk_angndx.c		diff \| blob \| blame \| history

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