Add checkpointing for MdModules
authorChristian Blau <cblau@gwdg.de>
Mon, 26 Aug 2019 15:17:59 +0000 (17:17 +0200)
committerMark Abraham <mark.j.abraham@gmail.com>
Sun, 1 Sep 2019 13:44:30 +0000 (15:44 +0200)
commitb2c7e34915beec552273c6c0b93cb2a7e2e3f407
treebac168ba203e01f2b0b52938ae3a4415034ae162
parent60091c8d2f5e83e0630c11f0bfc704b612c68ee6
Add checkpointing for MdModules

Adds the possiblity to write and read from checkpoint files for MdModules.

refs #2282

Change-Id: Id3ab57d1c9a40b6e1fb0193430e5b66ffa87d787
19 files changed:
src/gromacs/applied_forces/densityfitting.cpp
src/gromacs/applied_forces/tests/densityfitting.cpp
src/gromacs/fileio/checkpoint.cpp
src/gromacs/fileio/checkpoint.h
src/gromacs/gmxpreprocess/grompp.cpp
src/gromacs/gmxpreprocess/readir.cpp
src/gromacs/mdlib/mdoutf.cpp
src/gromacs/mdlib/mdoutf.h
src/gromacs/mdrun/isimulator.h
src/gromacs/mdrun/md.cpp
src/gromacs/mdrun/mdmodules.cpp
src/gromacs/mdrun/mimic.cpp
src/gromacs/mdrun/minimize.cpp
src/gromacs/mdrun/rerun.cpp
src/gromacs/mdrun/runner.cpp
src/gromacs/modularsimulator/trajectoryelement.cpp
src/gromacs/modularsimulator/trajectoryelement.h
src/gromacs/utility/mdmodulenotification.h [moved from src/gromacs/mdrunutility/mdmodulenotification.h with 95% similarity]
src/programs/mdrun/tests/mdmodulenotification.cpp