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

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

author	Mark Abraham <mark.j.abraham@gmail.com>
	Tue, 7 Sep 2021 17:38:29 +0000 (17:38 +0000)
committer	Joe Jordan <ejjordan12@gmail.com>
	Tue, 7 Sep 2021 17:38:29 +0000 (17:38 +0000)
commit	aff557e07c009e9ebd236f96d93466289c481139
tree	9f660b024f17078cb888d820ddb8b84a3f4ade75	tree \| snapshot
parent	6b81dbff472791cc5defd7667cd80ce1512d0dee	commit \| diff

Introduce plumbing for ObservablesReducer

41 files changed:

src/gromacs/mdlib/md_support.cpp		diff \| blob \| history
src/gromacs/mdlib/md_support.h		diff \| blob \| history
src/gromacs/mdlib/stat.cpp		diff \| blob \| history
src/gromacs/mdlib/stat.h		diff \| blob \| history
src/gromacs/mdlib/update_vv.cpp		diff \| blob \| history
src/gromacs/mdlib/update_vv.h		diff \| blob \| history
src/gromacs/mdrun/isimulator.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/simulatorbuilder.cpp		diff \| blob \| history
src/gromacs/mdrun/simulatorbuilder.h		diff \| blob \| history
src/gromacs/modularsimulator/andersentemperaturecoupling.cpp		diff \| blob \| history
src/gromacs/modularsimulator/andersentemperaturecoupling.h		diff \| blob \| history
src/gromacs/modularsimulator/computeglobalselement.cpp		diff \| blob \| history
src/gromacs/modularsimulator/computeglobalselement.h		diff \| blob \| history
src/gromacs/modularsimulator/constraintelement.cpp		diff \| blob \| history
src/gromacs/modularsimulator/constraintelement.h		diff \| blob \| history
src/gromacs/modularsimulator/energydata.cpp		diff \| blob \| history
src/gromacs/modularsimulator/energydata.h		diff \| blob \| history
src/gromacs/modularsimulator/firstorderpressurecoupling.cpp		diff \| blob \| history
src/gromacs/modularsimulator/firstorderpressurecoupling.h		diff \| blob \| history
src/gromacs/modularsimulator/forceelement.cpp		diff \| blob \| history
src/gromacs/modularsimulator/forceelement.h		diff \| blob \| history
src/gromacs/modularsimulator/modularsimulator.h		diff \| blob \| history
src/gromacs/modularsimulator/mttk.cpp		diff \| blob \| history
src/gromacs/modularsimulator/mttk.h		diff \| blob \| history
src/gromacs/modularsimulator/nosehooverchains.cpp		diff \| blob \| history
src/gromacs/modularsimulator/nosehooverchains.h		diff \| blob \| history
src/gromacs/modularsimulator/parrinellorahmanbarostat.cpp		diff \| blob \| history
src/gromacs/modularsimulator/parrinellorahmanbarostat.h		diff \| blob \| history
src/gromacs/modularsimulator/propagator.cpp		diff \| blob \| history
src/gromacs/modularsimulator/propagator.h		diff \| blob \| history
src/gromacs/modularsimulator/simulatoralgorithm.cpp		diff \| blob \| history
src/gromacs/modularsimulator/simulatoralgorithm.h		diff \| blob \| history
src/gromacs/modularsimulator/statepropagatordata.cpp		diff \| blob \| history
src/gromacs/modularsimulator/statepropagatordata.h		diff \| blob \| history
src/gromacs/modularsimulator/velocityscalingtemperaturecoupling.cpp		diff \| blob \| history
src/gromacs/modularsimulator/velocityscalingtemperaturecoupling.h		diff \| blob \| history

Local GROMACS mirror with custom stuff

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