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

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

author	Mark Abraham <mark.j.abraham@gmail.com>
	Wed, 6 Mar 2019 10:16:29 +0000 (11:16 +0100)
committer	Berk Hess <hess@kth.se>
	Thu, 7 Mar 2019 21:01:53 +0000 (22:01 +0100)
commit	2090e9ae65cc26157d46840af27302906d06ebf5
tree	ec920f1278be634bc8e487dc373e009c5a2b2978	tree \| snapshot
parent	caf4526e41266781a0b62057c59018b6ae27110f	commit \| diff

Eliminate mdlib/mdrun.h

This file was filled with stuff that works better elsewhere.

Moved the options structs into gmx namespace

Refs #2877

Change-Id: Ib796ef8e9896804c56936f23f67dcd3fc12900fd

45 files changed:

src/api/cpp/context_impl.h		diff \| blob \| history
src/gromacs/domdec/domdec.cpp		diff \| blob \| history
src/gromacs/domdec/domdec.h		diff \| blob \| history
src/gromacs/essentialdynamics/edsam.cpp		diff \| blob \| history
src/gromacs/gmxana/gmx_disre.cpp		diff \| blob \| history
src/gromacs/gmxpreprocess/genion.cpp		diff \| blob \| history
src/gromacs/gmxpreprocess/readpull.cpp		diff \| blob \| history
src/gromacs/imd/imd.cpp		diff \| blob \| history
src/gromacs/imd/imd.h		diff \| blob \| history
src/gromacs/mdlib/broadcaststructs.cpp		diff \| blob \| history
src/gromacs/mdlib/broadcaststructs.h		diff \| blob \| history
src/gromacs/mdlib/checkpointhandler.h		diff \| blob \| history
src/gromacs/mdlib/constr.cpp		diff \| blob \| history
src/gromacs/mdlib/energyoutput.cpp		diff \| blob \| history
src/gromacs/mdlib/force.cpp		diff \| blob \| history
src/gromacs/mdlib/lincs.cpp		diff \| blob \| history
src/gromacs/mdlib/md_support.cpp		diff \| blob \| history
src/gromacs/mdlib/md_support.h		diff \| blob \| history
src/gromacs/mdlib/mdoutf.cpp		diff \| blob \| history
src/gromacs/mdlib/mdoutf.h		diff \| blob \| history
src/gromacs/mdlib/shellfc.cpp		diff \| blob \| history
src/gromacs/mdlib/sim_util.cpp		diff \| blob \| history
src/gromacs/mdlib/sim_util.h		diff \| blob \| history
src/gromacs/mdlib/stat.cpp		diff \| blob \| history
src/gromacs/mdlib/trajectory_writing.cpp		diff \| blob \| history
src/gromacs/mdlib/update.cpp		diff \| blob \| history
src/gromacs/mdrun/integrator.h		diff \| blob \| history
src/gromacs/mdrun/legacymdrunoptions.h		diff \| blob \| history
src/gromacs/mdrun/md.cpp		diff \| blob \| history
src/gromacs/mdrun/mimic.cpp		diff \| blob \| history
src/gromacs/mdrun/minimize.cpp		diff \| blob \| history
src/gromacs/mdrun/rerun.cpp		diff \| blob \| history
src/gromacs/mdrun/runner.cpp		diff \| blob \| history
src/gromacs/mdrun/runner.h		diff \| blob \| history
src/gromacs/mdrun/tpi.cpp		diff \| blob \| history
src/gromacs/mdtypes/mdrunoptions.h	[moved from src/gromacs/mdlib/mdrun.h with 82% similarity]	diff \| blob \| history
src/gromacs/pulling/output.cpp		diff \| blob \| history
src/gromacs/pulling/output.h		diff \| blob \| history
src/gromacs/pulling/pull.cpp		diff \| blob \| history
src/gromacs/pulling/pull.h		diff \| blob \| history
src/gromacs/pulling/pull_rotation.cpp		diff \| blob \| history
src/gromacs/pulling/pull_rotation.h		diff \| blob \| history
src/gromacs/swap/swapcoords.cpp		diff \| blob \| history
src/gromacs/swap/swapcoords.h		diff \| blob \| history
src/programs/mdrun/mdrun.cpp		diff \| blob \| history

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