Gromacs  2020.4
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Modules
Here is a list of all modules:
[detail level 12]
oPublic APIClasses and other symbols that are publicly accessible from user code
|\MD restraintsApply restraints during MD integration
oLibrary APIClasses and other symbols that are publicly accessible within the GROMACS library
oUtility ModulesModules with generic utility functions
|oCommand Line Program Management (commandline)Provides functionality for managing command line programs
|oExtensible Handling of Options (options)Provides functionality for handling options
|oRandom engines and distributions (random)Provides efficient and portable random generators and distributions
|\Low-Level Utilities (utility)Provides low-level utilities for error handling and other tasks
oAnalysis ModulesModules used in analysis tools
|oParallelizable Handling of Output Data (analysisdata)Provides functionality for handling and processing output data from analysis
|oHandling of writing new coordinate filesProvides basic functions to handle writing of new coordinate files
|oParsing and Evaluation of Analysis Selections (selection)Provides functionality for initializing and evaluating selections
|\Framework for Trajectory Analysis (trajectoryanalysis)Provides functionality for implementing trajectory analysis modules
oSpatial domain decomposition (for parallelization over MPI)Manages the decomposition of the simulation volume over MPI ranks to try to distribute work evenly with minimal communication overheads
oInteractions between lists of particlesHandles computing energies and forces for listed interactions
oImplementation of mdrun utility functionalityThis module contains code that implements general infrastructure for mdrun that does not suit any other module
oThe modular simulatorThe modular simulator improves extensibility, adds Monte Carlo capabilities, promotes data locality and communication via interfaces, supports multi-stepping integrators, and paves the way for some task parallelism
oAssigning simulation tasks to hardware (taskassignment)Provides code that manages assignment of simulation tasks to hardware
oImplementation of mdrunThis module contains code that implements mdrun
\Integration test utilitiesFunctionality for testing mdrun as a whole