BioD PNPI Git Repos - alexxy/gromacs.git/commit - src/gromacs/domdec/partition.cpp

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

author	Berk Hess <hess@kth.se>
	Fri, 13 Mar 2020 21:49:32 +0000 (22:49 +0100)
committer	Berk Hess <hess@kth.se>
	Wed, 18 Mar 2020 22:05:39 +0000 (23:05 +0100)
commit	ecf42f0e59517fe456d0225c13da523a5213b280
tree	c71f8d3615abd710436e83b08afaf31e35ac8a1b	tree \| snapshot
parent	2548c9e0ce93d295e10d953f10763f7700ea7d17	commit \| diff

Remove use of graph in do_force()

Removed all unused code paths using t_graph.

TODO: Remove the double coordinate copy in the update code.

Change-Id: I9fcba521e85972e7a0d18e348e0330f845c45182

39 files changed:

src/gromacs/domdec/mdsetup.cpp		diff \| blob \| history
src/gromacs/domdec/mdsetup.h		diff \| blob \| history
src/gromacs/domdec/partition.cpp		diff \| blob \| history
src/gromacs/gmxana/gmx_disre.cpp		diff \| blob \| history
src/gromacs/listed_forces/bonded.cpp		diff \| blob \| history
src/gromacs/listed_forces/bonded.h		diff \| blob \| history
src/gromacs/listed_forces/disre.cpp		diff \| blob \| history
src/gromacs/listed_forces/disre.h		diff \| blob \| history
src/gromacs/listed_forces/listed_forces.cpp		diff \| blob \| history
src/gromacs/listed_forces/listed_forces.h		diff \| blob \| history
src/gromacs/listed_forces/orires.cpp		diff \| blob \| history
src/gromacs/listed_forces/orires.h		diff \| blob \| history
src/gromacs/listed_forces/pairs.cpp		diff \| blob \| history
src/gromacs/listed_forces/pairs.h		diff \| blob \| history
src/gromacs/listed_forces/tests/bonded.cpp		diff \| blob \| history
src/gromacs/mdlib/calcvir.cpp		diff \| blob \| history
src/gromacs/mdlib/calcvir.h		diff \| blob \| history
src/gromacs/mdlib/force.cpp		diff \| blob \| history
src/gromacs/mdlib/force.h		diff \| blob \| history
src/gromacs/mdlib/sim_util.cpp		diff \| blob \| history
src/gromacs/mdlib/tests/leapfrogtestrunners.cpp		diff \| blob \| history
src/gromacs/mdlib/update.cpp		diff \| blob \| history
src/gromacs/mdlib/update.h		diff \| blob \| history
src/gromacs/mdlib/vsite.cpp		diff \| blob \| history
src/gromacs/mdlib/vsite.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/shellfc.cpp		diff \| blob \| history
src/gromacs/mdrun/shellfc.h		diff \| blob \| history
src/gromacs/mdrun/tpi.cpp		diff \| blob \| history
src/gromacs/mdtypes/state.cpp		diff \| blob \| history
src/gromacs/modularsimulator/domdechelper.cpp		diff \| blob \| history
src/gromacs/modularsimulator/forceelement.cpp		diff \| blob \| history
src/gromacs/modularsimulator/shellfcelement.cpp		diff \| blob \| history
src/gromacs/modularsimulator/topologyholder.cpp		diff \| blob \| history
src/gromacs/pbcutil/pbc.cpp		diff \| blob \| history
src/gromacs/pbcutil/pbc.h		diff \| blob \| history

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