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

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

author	Paul Bauer <paul.bauer.q@gmail.com>
	Thu, 14 Mar 2019 11:21:55 +0000 (12:21 +0100)
committer	Mark Abraham <mark.j.abraham@gmail.com>
	Tue, 2 Apr 2019 13:19:07 +0000 (15:19 +0200)
commit	c8d88b1e4363ebabb52ed92fcd535d59f34c7d9c
tree	f2dc83175ff81bc50336fc510f09800dbfa6cca7	tree \| snapshot
parent	2404693ffd11a3208a82433dd5b7dedc25b4bda6	commit \| diff

Refactor gmx_group_t to SimulationAtomGroups

Change allocation on type to std::container, but did not touch to
underlying t_grps datastructure yet.

Change-Id: I3858e650a31764b3ab83090eaa0653fc579a8af1

45 files changed:

src/gromacs/fileio/enxio.cpp		diff \| blob \| history
src/gromacs/fileio/enxio.h		diff \| blob \| history
src/gromacs/fileio/tngio.cpp		diff \| blob \| history
src/gromacs/fileio/tpxio.cpp		diff \| blob \| history
src/gromacs/gmxpreprocess/grompp.cpp		diff \| blob \| history
src/gromacs/gmxpreprocess/readir.cpp		diff \| blob \| history
src/gromacs/gmxpreprocess/readir.h		diff \| blob \| history
src/gromacs/gmxpreprocess/topio.cpp		diff \| blob \| history
src/gromacs/listed_forces/orires.cpp		diff \| blob \| history
src/gromacs/mdlib/broadcaststructs.cpp		diff \| blob \| history
src/gromacs/mdlib/compute_io.cpp		diff \| blob \| history
src/gromacs/mdlib/compute_io.h		diff \| blob \| history
src/gromacs/mdlib/energyoutput.cpp		diff \| blob \| history
src/gromacs/mdlib/energyoutput.h		diff \| blob \| history
src/gromacs/mdlib/force.cpp		diff \| blob \| history
src/gromacs/mdlib/force.h		diff \| blob \| history
src/gromacs/mdlib/forcerec.cpp		diff \| blob \| history
src/gromacs/mdlib/mdatoms.cpp		diff \| blob \| history
src/gromacs/mdlib/mdoutf.cpp		diff \| blob \| history
src/gromacs/mdlib/membed.cpp		diff \| blob \| history
src/gromacs/mdlib/ns.cpp		diff \| blob \| history
src/gromacs/mdlib/ns.h		diff \| blob \| history
src/gromacs/mdlib/qmmm.cpp		diff \| blob \| history
src/gromacs/mdlib/shellfc.cpp		diff \| blob \| history
src/gromacs/mdlib/shellfc.h		diff \| blob \| history
src/gromacs/mdlib/sim_util.cpp		diff \| blob \| history
src/gromacs/mdlib/tgroup.cpp		diff \| blob \| history
src/gromacs/mdlib/update.cpp		diff \| blob \| history
src/gromacs/mdlib/vcm.cpp		diff \| blob \| history
src/gromacs/mdlib/vcm.h		diff \| blob \| history
src/gromacs/mdlib/wall.cpp		diff \| blob \| history
src/gromacs/mdlib/wall.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/tpi.cpp		diff \| blob \| history
src/gromacs/mimic/utilities.cpp		diff \| blob \| history
src/gromacs/pulling/pull.cpp		diff \| blob \| history
src/gromacs/tools/dump.cpp		diff \| blob \| history
src/gromacs/topology/topology.cpp		diff \| blob \| history
src/gromacs/topology/topology.h		diff \| blob \| history
src/gromacs/utility/CMakeLists.txt		diff \| blob \| history
src/gromacs/utility/enumerationhelpers.h		diff \| blob \| history

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