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Implementation of mdrun utility functionality
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Description

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.