Make SD stuff private for update.cpp
commit05e9a6d19035cd45034bcbf74e5a951b7bfc5a9e
authorArtem Zhmurov <zhmurov@gmail.com>
Tue, 9 Jun 2020 14:49:28 +0000 (9 14:49 +0000)
committerPaul Bauer <paul.bauer.q@gmail.com>
Tue, 9 Jun 2020 14:49:28 +0000 (9 14:49 +0000)
tree81de65f108b3be347b58b6209b7d08b35d833f55
parent437c3651d05e0b8f4869002403d711b042a245f2
Make SD stuff private for update.cpp

1. Make update_sd_second_half(...) into a method of Update class
2. Make update_temperature_constants(...) into a method of Update class
3. Unexpose gmx_stochd_t

TODO: Need beter solution for Andersen stuff.
12 files changed:
src/gromacs/mdlib/coupling.cpp
src/gromacs/mdlib/coupling.h [copied from src/gromacs/mdlib/update.h with 54% similarity]
src/gromacs/mdlib/md_support.cpp
src/gromacs/mdlib/tgroup.cpp
src/gromacs/mdlib/update.cpp
src/gromacs/mdlib/update.h
src/gromacs/mdrun/md.cpp
src/gromacs/mdrun/minimize.cpp
src/gromacs/modularsimulator/energyelement.cpp
src/gromacs/modularsimulator/modularsimulator.cpp
src/gromacs/modularsimulator/parrinellorahmanbarostat.cpp
src/gromacs/modularsimulator/vrescalethermostat.cpp