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

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

author	ejjordan <ejjordan@kth.se>
	Tue, 14 Sep 2021 14:25:21 +0000 (16:25 +0200)
committer	Mark Abraham <mark.j.abraham@gmail.com>
	Thu, 23 Sep 2021 09:12:07 +0000 (09:12 +0000)
commit	ce0fc73a169bd7bcdeb806e3ba5348db819e04fd
tree	05cd01f2180a0576f3ae60c4259fda81eb0e84c8	tree \| snapshot
parent	21fa29c865259b3e480b9f73370d847615177451	commit \| diff

Make CpuPpLongRangeNonbondeds class

The CpuPpLongRangeNonbondeds class replaces the calculateLongRangeNonbondeds
function. Now simulation constant data is passed to a constructor,
domain constant data is passed to an updateAfterPartition function,
and per step data is passed to a calculate function.

17 files changed:

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/forcerec_threading.h	[deleted file]	blob \| history
src/gromacs/mdlib/sim_util.cpp		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/shellfc.cpp		diff \| blob \| history
src/gromacs/mdrun/shellfc.h		diff \| blob \| history
src/gromacs/mdrun/tpi.cpp		diff \| blob \| history
src/gromacs/mdtypes/forcerec.h		diff \| blob \| history
src/gromacs/modularsimulator/forceelement.cpp		diff \| blob \| history
src/gromacs/modularsimulator/forceelement.h		diff \| blob \| history
src/gromacs/modularsimulator/simulatoralgorithm.cpp		diff \| blob \| history

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