BioD PNPI Git Repos - alexxy/gromacs.git/commit

biod.pnpi.spb.ru / alexxy / gromacs.git / commit

author	Roland Schulz <roland@utk.edu>
	Sun, 11 Dec 2011 20:17:43 +0000 (15:17 -0500)
committer	Roland Schulz <roland@utk.edu>
	Sun, 11 Dec 2011 20:18:51 +0000 (15:18 -0500)
commit	6d7620f75d5b647770cd36740816008c82956ca2
tree	3214ef5f212f14e0e5f6765e8e777ba3fc2e6d25	tree \| snapshot
parent	706acb16c997a8a2be5b1625f7cb7e15809e477c	commit \| diff
parent	13c2117e5e88c6777926e66cd31c8a3296eeca4b	commit \| diff

Merge gromacs-4-6 into master

Conflicts:
CMakeLists.txt
README
bootstrap
share/template/.gitignore
src/gmxlib/.gitignore
src/gmxlib/CMakeLists.txt
src/kernel/.gitignore
src/ngmx/.gitignore
src/tools/.gitignore
src/tools/CMakeLists.txt
src/tools/gmx_dos.c
src/tools/gmx_energy.c
src/gromacs/CMakeLists.txt

Change-Id: I18a484ef470a8af9fc0eb80d086eb80f45de2d2c

70 files changed:

.gitignore	diff1 \|	diff2 \|	blob \| history
CMakeLists.txt	diff1 \|	diff2 \|	blob \| history
src/CMakeLists.txt	diff1 \|	diff2 \|	blob \| history
src/gromacs/CMakeLists.txt	diff1 \|	\|	blob \| history
src/gromacs/gmxlib/bondfree.c	diff1 \|	diff2 \|	blob \| history
src/gromacs/gmxlib/checkpoint.c	diff1 \|	diff2 \|	blob \| history
src/gromacs/gmxlib/copyrite.c	diff1 \|	diff2 \|	blob \| history
src/gromacs/gmxlib/disre.c	diff1 \|	diff2 \|	blob \| history
src/gromacs/gmxlib/gmxfio.c	diff1 \|	diff2 \|	blob \| history
src/gromacs/gmxlib/index.c	diff1 \|	diff2 \|	blob \| history
src/gromacs/gmxlib/libxdrf.c	diff1 \|	diff2 \|	blob \| history
src/gromacs/gmxlib/main.c	diff1 \|	diff2 \|	blob \| history
src/gromacs/gmxlib/mtxio.c	diff1 \|	diff2 \|	blob \| history
src/gromacs/gmxlib/names.c	diff1 \|	\|	blob \| history
src/gromacs/gmxlib/network.c	diff1 \|	\|	blob \| history
src/gromacs/gmxlib/nonbonded/nb_kernel_bluegene/nb_kernel_gen_bluegene.h	diff1 \|	diff2 \|	blob \| history
src/gromacs/gmxlib/nonbonded/nb_kernel_bluegene/nb_kernel_w3_bluegene.h	diff1 \|	diff2 \|	blob \| history
src/gromacs/gmxlib/nonbonded/nb_kernel_bluegene/nb_kernel_w3w3_bluegene.h	diff1 \|	diff2 \|	blob \| history
src/gromacs/gmxlib/nonbonded/nb_kernel_bluegene/nb_kernel_w4_bluegene.h	diff1 \|	diff2 \|	blob \| history
src/gromacs/gmxlib/nonbonded/nb_kernel_bluegene/nb_kernel_w4w4_bluegene.h	diff1 \|	diff2 \|	blob \| history
src/gromacs/gmxlib/sighandler.c	diff1 \|	diff2 \|	blob \| history
src/gromacs/gmxlib/tcontrol.c	diff1 \|	diff2 \|	blob \| history
src/gromacs/gmxlib/thread_mpi/tmpi_init.c	diff1 \|	diff2 \|	blob \| history
src/gromacs/gmxlib/topsort.c	diff1 \|	diff2 \|	blob \| history
src/gromacs/gmxlib/trxio.c	diff1 \|	diff2 \|	blob \| history
src/gromacs/gmxlib/txtdump.c	diff1 \|	\|	blob \| history
src/gromacs/gmxlib/wman.c	diff1 \|	diff2 \|	blob \| history
src/gromacs/gmxpreprocess/compute_io.c	diff1 \|	diff2 \|	blob \| history
src/gromacs/gmxpreprocess/gen_vsite.c	diff1 \|	diff2 \|	blob \| history
src/gromacs/gmxpreprocess/h_db.c	diff1 \|	diff2 \|	blob \| history
src/gromacs/gmxpreprocess/pgutil.c	diff1 \|	diff2 \|	blob \| history
src/gromacs/gmxpreprocess/readir.c	diff1 \|	\|	blob \| history
src/gromacs/gmxpreprocess/resall.c	diff1 \|	diff2 \|	blob \| history
src/gromacs/gmxpreprocess/ter_db.c	diff1 \|	diff2 \|	blob \| history
src/gromacs/gmxpreprocess/topdirs.c	diff1 \|	diff2 \|	blob \| history
src/gromacs/gmxpreprocess/topio.c	diff1 \|	diff2 \|	blob \| history
src/gromacs/gmxpreprocess/vsite_parm.c	diff1 \|	diff2 \|	blob \| history
src/gromacs/legacyheaders/gmx_ana.h	diff1 \|	diff2 \|	blob \| history
src/gromacs/legacyheaders/gstat.h	diff1 \|	diff2 \|	blob \| history
src/gromacs/legacyheaders/mdebin.h	diff1 \|	diff2 \|	blob \| history
src/gromacs/legacyheaders/mtxio.h	diff1 \|	diff2 \|	blob \| history
src/gromacs/legacyheaders/thread_mpi/tmpi.h	diff1 \|	diff2 \|	blob \| history
src/gromacs/legacyheaders/types/commrec.h	diff1 \|	diff2 \|	blob \| history
src/gromacs/legacyheaders/types/forcerec.h	diff1 \|	diff2 \|	blob \| history
src/gromacs/legacyheaders/types/ifunc.h	diff1 \|	diff2 \|	blob \| history
src/gromacs/mdlib/coupling.c	diff1 \|	diff2 \|	blob \| history
src/gromacs/mdlib/domdec.c	diff1 \|	\|	blob \| history
src/gromacs/mdlib/domdec_setup.c	diff1 \|	diff2 \|	blob \| history
src/gromacs/mdlib/edsam.c	diff1 \|	\|	blob \| history
src/gromacs/mdlib/fft5d.c	diff1 \|	diff2 \|	blob \| history
src/gromacs/mdlib/forcerec.c	diff1 \|	diff2 \|	blob \| history
src/gromacs/mdlib/genborn.c	diff1 \|	diff2 \|	blob \| history
src/gromacs/mdlib/genborn_sse2_double.c	diff1 \|	diff2 \|	blob \| history
src/gromacs/mdlib/mdebin.c	diff1 \|	\|	blob \| history
src/gromacs/mdlib/ns.c	diff1 \|	\|	blob \| history
src/gromacs/mdlib/partdec.c	diff1 \|	diff2 \|	blob \| history
src/gromacs/mdlib/pull.c	diff1 \|	diff2 \|	blob \| history
src/gromacs/mdlib/tables.c	diff1 \|	diff2 \|	blob \| history
src/gromacs/mdlib/wall.c	diff1 \|	diff2 \|	blob \| history
src/gromacs/selection/nbsearch.cpp	diff1 \|	\|	blob \| history
src/gromacs/selection/params.cpp	diff1 \|	\|	blob \| history
src/gromacs/selection/sm_insolidangle.cpp	diff1 \|	\|	blob \| history
src/programs/g_protonate/g_protonate.c	diff1 \|	diff2 \|	blob \| history
src/programs/gmxcheck/gmxcheck.c	diff1 \|	diff2 \|	blob \| history
src/programs/mdrun/mdrun.c	diff1 \|	\|	blob \| history
src/programs/pdb2gmx/hizzie.c	diff1 \|	diff2 \|	blob \| history
src/programs/pdb2gmx/pdb2gmx.c	diff1 \|	diff2 \|	blob \| history
src/programs/tpbconv/tpbconv.c	diff1 \|	diff2 \|	blob \| history
src/tools/CMakeLists.txt	diff1 \|	diff2 \|	blob \| history
src/tools/gmx_tune_pme.c	diff1 \|	diff2 \|	blob \| history

Local GROMACS mirror with custom stuff

RSS Atom

.gitignore	diff1 \|	diff2 \|	blob \| history
CMakeLists.txt	diff1 \|	diff2 \|	blob \| history
src/CMakeLists.txt	diff1 \|	diff2 \|	blob \| history
src/gromacs/CMakeLists.txt	diff1 \|	\|	blob \| history
src/gromacs/gmxlib/bondfree.c	diff1 \|	diff2 \|	blob \| history
src/gromacs/gmxlib/checkpoint.c	diff1 \|	diff2 \|	blob \| history
src/gromacs/gmxlib/copyrite.c	diff1 \|	diff2 \|	blob \| history
src/gromacs/gmxlib/disre.c	diff1 \|	diff2 \|	blob \| history
src/gromacs/gmxlib/gmxfio.c	diff1 \|	diff2 \|	blob \| history
src/gromacs/gmxlib/index.c	diff1 \|	diff2 \|	blob \| history
src/gromacs/gmxlib/libxdrf.c	diff1 \|	diff2 \|	blob \| history
src/gromacs/gmxlib/main.c	diff1 \|	diff2 \|	blob \| history
src/gromacs/gmxlib/mtxio.c	diff1 \|	diff2 \|	blob \| history
src/gromacs/gmxlib/names.c	diff1 \|	\|	blob \| history
src/gromacs/gmxlib/network.c	diff1 \|	\|	blob \| history
src/gromacs/gmxlib/nonbonded/nb_kernel_bluegene/nb_kernel_gen_bluegene.h	diff1 \|	diff2 \|	blob \| history
src/gromacs/gmxlib/nonbonded/nb_kernel_bluegene/nb_kernel_w3_bluegene.h	diff1 \|	diff2 \|	blob \| history
src/gromacs/gmxlib/nonbonded/nb_kernel_bluegene/nb_kernel_w3w3_bluegene.h	diff1 \|	diff2 \|	blob \| history
src/gromacs/gmxlib/nonbonded/nb_kernel_bluegene/nb_kernel_w4_bluegene.h	diff1 \|	diff2 \|	blob \| history
src/gromacs/gmxlib/nonbonded/nb_kernel_bluegene/nb_kernel_w4w4_bluegene.h	diff1 \|	diff2 \|	blob \| history
src/gromacs/gmxlib/sighandler.c	diff1 \|	diff2 \|	blob \| history
src/gromacs/gmxlib/tcontrol.c	diff1 \|	diff2 \|	blob \| history
src/gromacs/gmxlib/thread_mpi/tmpi_init.c	diff1 \|	diff2 \|	blob \| history
src/gromacs/gmxlib/topsort.c	diff1 \|	diff2 \|	blob \| history
src/gromacs/gmxlib/trxio.c	diff1 \|	diff2 \|	blob \| history
src/gromacs/gmxlib/txtdump.c	diff1 \|	\|	blob \| history
src/gromacs/gmxlib/wman.c	diff1 \|	diff2 \|	blob \| history
src/gromacs/gmxpreprocess/compute_io.c	diff1 \|	diff2 \|	blob \| history
src/gromacs/gmxpreprocess/gen_vsite.c	diff1 \|	diff2 \|	blob \| history
src/gromacs/gmxpreprocess/h_db.c	diff1 \|	diff2 \|	blob \| history
src/gromacs/gmxpreprocess/pgutil.c	diff1 \|	diff2 \|	blob \| history
src/gromacs/gmxpreprocess/readir.c	diff1 \|	\|	blob \| history
src/gromacs/gmxpreprocess/resall.c	diff1 \|	diff2 \|	blob \| history
src/gromacs/gmxpreprocess/ter_db.c	diff1 \|	diff2 \|	blob \| history
src/gromacs/gmxpreprocess/topdirs.c	diff1 \|	diff2 \|	blob \| history
src/gromacs/gmxpreprocess/topio.c	diff1 \|	diff2 \|	blob \| history
src/gromacs/gmxpreprocess/vsite_parm.c	diff1 \|	diff2 \|	blob \| history
src/gromacs/legacyheaders/gmx_ana.h	diff1 \|	diff2 \|	blob \| history
src/gromacs/legacyheaders/gstat.h	diff1 \|	diff2 \|	blob \| history
src/gromacs/legacyheaders/mdebin.h	diff1 \|	diff2 \|	blob \| history
src/gromacs/legacyheaders/mtxio.h	diff1 \|	diff2 \|	blob \| history
src/gromacs/legacyheaders/thread_mpi/tmpi.h	diff1 \|	diff2 \|	blob \| history
src/gromacs/legacyheaders/types/commrec.h	diff1 \|	diff2 \|	blob \| history
src/gromacs/legacyheaders/types/forcerec.h	diff1 \|	diff2 \|	blob \| history
src/gromacs/legacyheaders/types/ifunc.h	diff1 \|	diff2 \|	blob \| history
src/gromacs/mdlib/coupling.c	diff1 \|	diff2 \|	blob \| history
src/gromacs/mdlib/domdec.c	diff1 \|	\|	blob \| history
src/gromacs/mdlib/domdec_setup.c	diff1 \|	diff2 \|	blob \| history
src/gromacs/mdlib/edsam.c	diff1 \|	\|	blob \| history
src/gromacs/mdlib/fft5d.c	diff1 \|	diff2 \|	blob \| history
src/gromacs/mdlib/forcerec.c	diff1 \|	diff2 \|	blob \| history
src/gromacs/mdlib/genborn.c	diff1 \|	diff2 \|	blob \| history
src/gromacs/mdlib/genborn_sse2_double.c	diff1 \|	diff2 \|	blob \| history
src/gromacs/mdlib/mdebin.c	diff1 \|	\|	blob \| history
src/gromacs/mdlib/ns.c	diff1 \|	\|	blob \| history
src/gromacs/mdlib/partdec.c	diff1 \|	diff2 \|	blob \| history
src/gromacs/mdlib/pull.c	diff1 \|	diff2 \|	blob \| history
src/gromacs/mdlib/tables.c	diff1 \|	diff2 \|	blob \| history
src/gromacs/mdlib/wall.c	diff1 \|	diff2 \|	blob \| history
src/gromacs/selection/nbsearch.cpp	diff1 \|	\|	blob \| history
src/gromacs/selection/params.cpp	diff1 \|	\|	blob \| history
src/gromacs/selection/sm_insolidangle.cpp	diff1 \|	\|	blob \| history
src/programs/g_protonate/g_protonate.c	diff1 \|	diff2 \|	blob \| history
src/programs/gmxcheck/gmxcheck.c	diff1 \|	diff2 \|	blob \| history
src/programs/mdrun/mdrun.c	diff1 \|	\|	blob \| history
src/programs/pdb2gmx/hizzie.c	diff1 \|	diff2 \|	blob \| history
src/programs/pdb2gmx/pdb2gmx.c	diff1 \|	diff2 \|	blob \| history
src/programs/tpbconv/tpbconv.c	diff1 \|	diff2 \|	blob \| history
src/tools/CMakeLists.txt	diff1 \|	diff2 \|	blob \| history
src/tools/gmx_tune_pme.c	diff1 \|	diff2 \|	blob \| history