Make relax_shell_flexcon independent of t_state
commit39f0bb97329da7f5def44ccba75d88b163372671
authorPascal Merz <pascal.merz@me.com>
Tue, 9 Jul 2019 13:14:27 +0000 (9 07:14 -0600)
committerPaul Bauer <paul.bauer.q@gmail.com>
Thu, 11 Jul 2019 06:16:15 +0000 (11 08:16 +0200)
treef619879fbce54c54d76816ba7c582a785cd1acbd
parentd3190b9c3302266f94283253007b38803fb1ac21
Make relax_shell_flexcon independent of t_state

This change writes out the fields of t_state needed as explicit
arguments of relax_shell_flexcon instead of taking a pointer to
the full t_state object. This simplifies refactoring the t_state
object in future commits.

Change-Id: Iec3d0aea7462325963341b1d192cff697b764a7c
src/gromacs/mdrun/md.cpp
src/gromacs/mdrun/mimic.cpp
src/gromacs/mdrun/minimize.cpp
src/gromacs/mdrun/rerun.cpp
src/gromacs/mdrun/shellfc.cpp
src/gromacs/mdrun/shellfc.h