Gromacs  5.1.2
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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
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
|oHelp Formatting for Online Help (onlinehelp)Provides functionality for formatting help text for console and reStructuredText
|oExtensible Handling of Options (options)Provides functionality for handling options
|oSIMD intrinsics interface (simd)Provides an architecture-independent way of doing SIMD coding
|oLow-Level Utilities (utility)Provides low-level utilities for error handling and other tasks
|\Testing Utilities (testutils)Common helper classes and functions for writing tests using Google Test
oAnalysis ModulesModules used in analysis tools
|oParallelizable Handling of Output Data (analysisdata)Provides functionality for handling and processing output data from analysis
|oCorrelation functionsCompute correlation functions and fit analytical functions to the result
|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
\Modules for simulation functionalityModules used in running simulations with mdrun
 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
 oEwald-family treatments of long-ranged forcesComputes energies and forces for long-ranged interactions using the Ewald decomposition. Includes plain Ewald, PME, P3M for Coulomb, PME for Lennard-Jones, load-balancing for PME, and supporting code
 oInteractive molecular dynamics (IMD)Allows mdrun to interface with VMD via the interactive molecular dynamics (IMD) protocol
 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
 o"Computational Electrophysiology" position swapping (swap)Implements the "Computational Electrophysiology" protocol
 oImplementation of mdrunThis module contains code that implements mdrun
 \Integration test utilitiesFunctionality for testing mdrun as a whole