Gromacs  2021-sycl
 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  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  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.