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

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

author	M. Eric Irrgang <mei2n@virginia.edu>
	Mon, 14 Sep 2020 15:37:40 +0000 (15:37 +0000)
committer	M. Eric Irrgang <mei2n@virginia.edu>
	Mon, 14 Sep 2020 15:37:40 +0000 (15:37 +0000)
commit	c4e2fbeee65fa27e543b67ce3ab09c535dd29067
tree	0cda0a285a3cdcdf920ed6730bbbe303629b37e6	tree \| snapshot
parent	764eb4c56a11c362d996b2830b349f8fb0cca749	commit \| diff

Create and use SimulationInput module.

Allow Mdrunner to accept a handle to SimulationInput from the client.

This change adds an input method to the MdRunner builder to provide
access to resources provided through the new SimulationInput module.

Refs #3374

12 files changed:

api/gmxapi/cpp/context.cpp		diff \| blob \| history
src/gromacs/mdrun/CMakeLists.txt		diff \| blob \| history
src/gromacs/mdrun/runner.cpp		diff \| blob \| history
src/gromacs/mdrun/runner.h		diff \| blob \| history
src/gromacs/mdrun/simulationinput.cpp		diff \| blob \| history
src/gromacs/mdrun/simulationinput.h		diff \| blob \| history
src/gromacs/mdrun/simulationinput_impl.h	[deleted file]	blob \| history
src/gromacs/mdrun/simulationinputhandle.cpp	[new file with mode: 0644]	blob
src/gromacs/mdrun/simulationinputhandle.h	[new file with mode: 0644]	blob
src/gromacs/mdrun/simulationinpututility.cpp	[deleted file]	blob \| history
src/gromacs/mdrun/simulationinpututility.h	[deleted file]	blob \| history
src/programs/mdrun/mdrun.cpp		diff \| blob \| history

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