mdrunutility Directory Reference

Directory dependency graph for mdrunutility:

Directories
directory	tests

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	plainpairlistranges.cpp
	Implements PlainPairlistRanges.
file	plainpairlistranges.h
	Declares and implements PlainPairlistRanges.
file	printtime.cpp
file	printtime.h
	Declares functions that write timestamps to e.g. log files.
file	threadaffinity.cpp
file	threadaffinity.h
	Declares functions for managing mdrun thread affinity.