BioD PNPI Git Repos - alexxy/gromacs.git/commit - src/gromacs/mdlib/wnblist.cpp

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

author	David van der Spoel <spoel@xray.bmc.uu.se>
	Sat, 21 Nov 2015 14:27:16 +0000 (15:27 +0100)
committer	David van der Spoel <spoel@xray.bmc.uu.se>
	Mon, 23 Nov 2015 14:11:54 +0000 (15:11 +0100)
commit	1cd9683a35e0486d9a5e4e3fe82817e4040694aa
tree	82be92c89e29f53a86bf8ec2349bda776798378b	tree \| snapshot
parent	6abe0013f578c66ca609ceb785ff88794e2d407f	commit \| diff

Moved domdec structures out of commrec.h.

In order to clean up the legacyheaders directory here the
structures relating to domain decomposition are taken out of
commrec.h and moved to a new file domdec/domdec_struct.h

To not introduce new cyclic dependencies modified the
interface of write_checkpoint and gmx_fatal_collective.

Part of #1415

Change-Id: I485a03eddbb87dcc236b7e2e7d85d03383d86f61

52 files changed:

src/gromacs/domdec/domdec.cpp		diff \| blob \| history
src/gromacs/domdec/domdec_box.cpp		diff \| blob \| history
src/gromacs/domdec/domdec_constraints.cpp		diff \| blob \| history
src/gromacs/domdec/domdec_internal.h		diff \| blob \| history
src/gromacs/domdec/domdec_network.cpp		diff \| blob \| history
src/gromacs/domdec/domdec_setup.cpp		diff \| blob \| history
src/gromacs/domdec/domdec_specatomcomm.cpp		diff \| blob \| history
src/gromacs/domdec/domdec_specatomcomm.h		diff \| blob \| history
src/gromacs/domdec/domdec_struct.h	[new file with mode: 0644]	blob
src/gromacs/domdec/domdec_topology.cpp		diff \| blob \| history
src/gromacs/domdec/domdec_vsite.cpp		diff \| blob \| history
src/gromacs/essentialdynamics/edsam.cpp		diff \| blob \| history
src/gromacs/ewald/pme-load-balancing.cpp		diff \| blob \| history
src/gromacs/ewald/pme-pp.cpp		diff \| blob \| history
src/gromacs/fileio/checkpoint.cpp		diff \| blob \| history
src/gromacs/fileio/checkpoint.h		diff \| blob \| history
src/gromacs/gmxana/gmx_pme_error.cpp		diff \| blob \| history
src/gromacs/gmxlib/gmx_detect_hardware.cpp		diff \| blob \| history
src/gromacs/gmxlib/network.cpp		diff \| blob \| history
src/gromacs/gmxlib/network.h		diff \| blob \| history
src/gromacs/imd/imd.cpp		diff \| blob \| history
src/gromacs/legacyheaders/types/commrec.h		diff \| blob \| history
src/gromacs/mdlib/clincs.cpp		diff \| blob \| history
src/gromacs/mdlib/constr.cpp		diff \| blob \| history
src/gromacs/mdlib/coupling.cpp		diff \| blob \| history
src/gromacs/mdlib/force.cpp		diff \| blob \| history
src/gromacs/mdlib/forcerec.cpp		diff \| blob \| history
src/gromacs/mdlib/genborn.cpp		diff \| blob \| history
src/gromacs/mdlib/groupcoord.cpp		diff \| blob \| history
src/gromacs/mdlib/groupcoord.h		diff \| blob \| history
src/gromacs/mdlib/mdoutf.cpp		diff \| blob \| history
src/gromacs/mdlib/minimize.cpp		diff \| blob \| history
src/gromacs/mdlib/nbnxn_grid.cpp		diff \| blob \| history
src/gromacs/mdlib/nbnxn_search.cpp		diff \| blob \| history
src/gromacs/mdlib/ns.cpp		diff \| blob \| history
src/gromacs/mdlib/nsgrid.cpp		diff \| blob \| history
src/gromacs/mdlib/qmmm.cpp		diff \| blob \| history
src/gromacs/mdlib/shellfc.cpp		diff \| blob \| history
src/gromacs/mdlib/sim_util.cpp		diff \| blob \| history
src/gromacs/mdlib/stat.cpp		diff \| blob \| history
src/gromacs/mdlib/update.cpp		diff \| blob \| history
src/gromacs/mdlib/vsite.cpp		diff \| blob \| history
src/gromacs/mdlib/wnblist.cpp		diff \| blob \| history
src/gromacs/pbcutil/pbc.cpp		diff \| blob \| history
src/gromacs/pbcutil/pbc.h		diff \| blob \| history
src/gromacs/pulling/pull.cpp		diff \| blob \| history
src/gromacs/pulling/pull_rotation.cpp		diff \| blob \| history
src/gromacs/pulling/pullutil.cpp		diff \| blob \| history
src/gromacs/swap/swapcoords.cpp		diff \| blob \| history
src/programs/mdrun/md.cpp		diff \| blob \| history
src/programs/mdrun/repl_ex.cpp		diff \| blob \| history
src/programs/mdrun/runner.cpp		diff \| blob \| history

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