Gromacs
2026.0-dev-20241204-d69d709
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This module contains code that implements general infrastructure for mdrun that does not suit any other module.
Classes | |
class | gmx::MDModules |
Manages the collection of all modules used for mdrun. More... | |
Files | |
file | freeenergy.cpp |
Defines helper functions for mdrun pertaining to free energy calculations. | |
file | freeenergy.h |
Declares helper functions for mdrun pertaining to free energy calculations. | |
file | handlerestart.cpp |
This file declares functions for mdrun to call to manage the details of doing a restart (ie. reading checkpoints, appending output files). | |
file | handlerestart.h |
This file declares functions for mdrun to call to manage the details of doing a restart (ie. reading checkpoints, appending output files). | |
file | logging.cpp |
Implements the MD log file handling routines. | |
file | logging.h |
Declares the MD log file handling routines. | |
file | mdmodulesnotifier.h |
Declares gmx::MDModulesNotifier and builder. | |
file | mdmodulesnotifiers.cpp |
Implements routines in mdmodulesnotifiers.h. | |
file | mdmodulesnotifiers.h |
Declares gmx::MDModulesNotifiers. | |
file | multisim.cpp |
Implements the multi-simulation support routines. | |
file | multisim.h |
Declares the multi-simulation support routines. | |
file | printtime.h |
Declares functions that write timestamps to e.g. log files. | |
file | mdmodulesnotifier.cpp |
Tests MDModulesNotifier. | |
file | threadaffinity.h |
Declares functions for managing mdrun thread affinity. | |