Module MDTypes

Collaboration diagram for Module MDTypes:

Description

A brief description for Module MDTypes.

Classes
class	gmx::IForceProvider
	Interface for a component that provides forces during MD. More...
class	gmx::ForceProviders
	Evaluates forces from a collection of gmx::IForceProvider. More...
class	gmx::IMDModule
	Extension module for GROMACS simulations. More...
class	gmx::IMDOutputProvider
	Interface for handling additional output files during a simulation. More...
class	gmx::IMdpOptionProvider
	Interface for handling mdp/tpr input to a mdrun module. More...
class	gmx::ObservablesReducer
	Manage reduction of observables for registered subscribers. More...

Files
file	awh_correlation_history.h
	Contains datatypes and function declarations needed by AWH to have its force correlation data checkpointed.
file	awh_history.h
	Contains datatypes and function declarations needed by AWH to have its data checkpointed.
file	awh_params.h
	Declares AWH parameter data types.
file	checkpointdata.h
	Provides the checkpoint data structure for the modular simulator.
file	energyhistory.h
	This file contains datatypes for energy statistics history.
file	forcebuffers.h
	This file contains the definition of a container for force buffers.
file	forceoutput.h
	This file contains the definition of a container for force and virial output.
file	iforceprovider.h
	Declares gmx::IForceProvider and ForceProviders.
file	imdmodule.h
	Declares gmx::IMDModule.
file	imdoutputprovider.h
	Declares gmx::IMDOutputProvider.
file	imdpoptionprovider.h
	Declares gmx::IMdpOptionProvider.
file	locality.h
	Defines atom and atom interaction locality enums.
file	mdrunoptions.h
	This file declares helper functionality for legacy option handling for mdrun.
file	observableshistory.h
	This file contains the definition of a container for history data for simulation observables.
file	observablesreducer.h
	Declares gmx::ObservablesReducer and builder.
file	pull_params.h
	This file contains datatypes for the mdp options used by the pull code.
file	pullhistory.h
	This file contains datatypes for pull statistics history.
file	state.h
	This file contains the definition of the microstate of the simulated system.
file	md_enums.h
	Declares enumerated types used throughout the code.