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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  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.