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

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

author	Berk Hess <hess@kth.se>
	Fri, 6 Dec 2019 09:11:55 +0000 (10:11 +0100)
committer	Mark Abraham <mark.j.abraham@gmail.com>
	Mon, 16 Dec 2019 15:37:47 +0000 (16:37 +0100)
commit	62343cded1fa4455de3241d345ec82f88be60d33
tree	68420a8d7147ceb6f2d137c87b86d0e64593bb3a	tree \| snapshot
parent	0b3a07879aec62248760e295039a8a047630e1fe	commit \| diff

Use ListOfLists in gmx_mtop_t and gmx_localtop_t

This change uses ListOfLists for exclusions in gmx_mtop_t and
gmx_localtop_t. Exclusions in t_topolgy as well as other atom
and index lists still use t_blocka.

Change-Id: Idfd532ad2a4b19d68e60b05dbd0a3082650ec20a

33 files changed:

src/gromacs/domdec/domdec_topology.cpp		diff \| blob \| history
src/gromacs/fileio/tpxio.cpp		diff \| blob \| history
src/gromacs/gmxpreprocess/gpp_nextnb.cpp		diff \| blob \| history
src/gromacs/gmxpreprocess/gpp_nextnb.h		diff \| blob \| history
src/gromacs/gmxpreprocess/grompp.cpp		diff \| blob \| history
src/gromacs/gmxpreprocess/grompp_impl.h		diff \| blob \| history
src/gromacs/gmxpreprocess/topio.cpp		diff \| blob \| history
src/gromacs/gmxpreprocess/toppush.cpp		diff \| blob \| history
src/gromacs/mdlib/dispersioncorrection.cpp		diff \| blob \| history
src/gromacs/mdlib/forcerec.cpp		diff \| blob \| history
src/gromacs/mdlib/perf_est.cpp		diff \| blob \| history
src/gromacs/mdlib/sim_util.cpp		diff \| blob \| history
src/gromacs/mdrun/tpi.cpp		diff \| blob \| history
src/gromacs/nbnxm/benchmark/bench_setup.cpp		diff \| blob \| history
src/gromacs/nbnxm/benchmark/bench_system.cpp		diff \| blob \| history
src/gromacs/nbnxm/benchmark/bench_system.h		diff \| blob \| history
src/gromacs/nbnxm/nbnxm.h		diff \| blob \| history
src/gromacs/nbnxm/pairlist.cpp		diff \| blob \| history
src/gromacs/nbnxm/pairlistset.h		diff \| blob \| history
src/gromacs/nbnxm/pairlistsets.h		diff \| blob \| history
src/gromacs/selection/nbsearch.cpp		diff \| blob \| history
src/gromacs/selection/nbsearch.h		diff \| blob \| history
src/gromacs/selection/tests/nbsearch.cpp		diff \| blob \| history
src/gromacs/tools/convert_tpr.cpp		diff \| blob \| history
src/gromacs/topology/block.cpp		diff \| blob \| history
src/gromacs/topology/block.h		diff \| blob \| history
src/gromacs/topology/exclusionblocks.cpp		diff \| blob \| history
src/gromacs/topology/exclusionblocks.h		diff \| blob \| history
src/gromacs/topology/mtop_util.cpp		diff \| blob \| history
src/gromacs/topology/tests/exclusionblocks.cpp		diff \| blob \| history
src/gromacs/topology/topology.cpp		diff \| blob \| history
src/gromacs/topology/topology.h		diff \| blob \| history
src/gromacs/trajectoryanalysis/modules/rdf.cpp		diff \| blob \| history

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