Make holder for simulation configuration
commitf2bdc4cd74a937075066a8150d38cc620527716b
authorArtem Zhmurov <zhmurov@gmail.com>
Tue, 21 Apr 2020 14:30:03 +0000 (21 17:30 +0300)
committerJoe Jordan <ejjordan12@gmail.com>
Fri, 26 Jun 2020 10:54:08 +0000 (26 10:54 +0000)
tree7440695389fd7f6693476317e786890e687608ed
parent473da83b8b69cb0a470f747bc158c99d74494e44
Make holder for simulation configuration

Make a class that holds values of:

useModularSimulator
mdrunOptions
startingBehavior
doRerun
runScheduleWork

inside the SimulatorBuilder.

Refs #3567
src/gromacs/mdrun/runner.cpp
src/gromacs/mdrun/simulatorbuilder.cpp
src/gromacs/mdrun/simulatorbuilder.h
src/gromacs/modularsimulator/modularsimulator.cpp