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
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
file	logging.h
	Declares the MD log file handling routines.
file	multisim.cpp
file	multisim.h
	Declares the multi-simulation support routines.
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.