mdtypes Directory Reference

Directory dependency graph for mdtypes:

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	commrec.h
file	df_history.cpp
file	df_history.h
file	edsamhistory.h
file	enerdata.h
file	energyhistory.h
	This file contains datatypes for energy statistics history.
file	fcdata.h
file	forceoutput.h
	This file contains the definition of a container for force and virial output.
file	forcerec.h
file	group.cpp
	Implements classes from group.h.
file	group.h
file	iforceprovider.cpp
	Implements classes from iforceprovider.h.
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	inputrec.cpp
file	inputrec.h
file	interaction_const.h
file	locality.h
	Defines atom and atom interaction locality enums.
file	md_enums.cpp
file	md_enums.h
	Declares enumerated types used throughout the code.
file	mdatom.h
file	mdrunoptions.h
	This file declares helper functionality for legacy option handling for mdrun.
file	nblist.h
file	observableshistory.cpp
file	observableshistory.h
	This file contains the definition of a container for history data for simulation observables.
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	simulation_workload.h
	Declares step, domain-lifetime, and run workload managers.
file	state.cpp
file	state.h
	This file contains the definition of the microstate of the simulated system.
file	state_propagator_data_gpu.h
	Declaration of interfaces for GPU state data propagator object.
file	state_propagator_data_gpu_impl.cpp
	The CPU stub for the state propagator data class.
file	state_propagator_data_gpu_impl.h
	Declaration of low-level functions and fields of GPU state propagator object.
file	state_propagator_data_gpu_impl_gpu.cpp
	Definitions of interfaces for GPU state data propagator object.
file	swaphistory.h