Gromacs  2024.2
 All Classes Namespaces Files Functions Variables Typedefs Enumerations Enumerator Friends Macros Groups Pages
Classes | Files
Implementation of mdrun utility functionality
+ Collaboration diagram for Implementation of mdrun utility functionality:

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.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.h
 Declares the MD log file handling routines.
 
file  mdmodulesnotifier.h
 Declares gmx::MDModulesNotifier and builder.
 
file  mdmodulesnotifiers.h
 Declares gmx::MDModulesNotifiers.
 
file  multisim.h
 Declares the multi-simulation support routines.
 
file  printtime.h
 Declares functions that write timestamps to e.g. log files.
 
file  threadaffinity.h
 Declares functions for managing mdrun thread affinity.