Make inputrec const at simulator level (leaves some TODOs)
authorPascal Merz <pascal.merz@me.com>
Tue, 12 Jan 2021 09:36:19 +0000 (09:36 +0000)
committerPaul Bauer <paul.bauer.q@gmail.com>
Tue, 12 Jan 2021 09:36:19 +0000 (09:36 +0000)
commiteb46e811a3ec6a0cfe948f33d51496484c2a192d
tree1de10c6d9468f6ad3d8507f33b39c2650e321604
parent14315463036d9c9604fe3067c80a7046b6aca3bf
Make inputrec const at simulator level (leaves some TODOs)

This does not resolve the last few instances that change inputrec, but it
makes sure that the intent of inputrec being const is clear, and that future
code changes don't easily introduce additional non-const uses of inputrec.
See !46 for a similar change targetting the global topology.

Refs #3854.
src/gromacs/mdlib/update_vv.cpp
src/gromacs/mdlib/update_vv.h
src/gromacs/mdrun/isimulator.h
src/gromacs/mdrun/md.cpp
src/gromacs/mdrun/mimic.cpp
src/gromacs/mdrun/minimize.cpp
src/gromacs/mdrun/rerun.cpp
src/gromacs/mdrun/tpi.cpp