mdtypes Directory Reference

Directory dependency graph for mdtypes:

Directories
directory	tests

Files
file	atominfo.h
	This file makes declarations used for storing bitfields describing each atom so that other modules can efficiently process them.
file	awh_correlation_history.h
	Contains datatypes and function declarations needed by AWH to have its force correlation data checkpointed.
file	awh_history.cpp
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.cpp
file	checkpointdata.h
	Provides the checkpoint data structure for the modular simulator.
file	commrec.cpp
file	commrec.h
file	df_history.cpp
file	df_history.h
file	edsamhistory.h
file	enerdata.h
file	energyhistory.cpp
file	energyhistory.h
	This file contains datatypes for energy statistics history.
file	fcdata.h
file	forcebuffers.cpp
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	forcerec.h
file	group.cpp
file	group.h
file	iforceprovider.cpp
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	interaction_const.cpp
file	interaction_const.h
file	locality.h
	Defines atom and atom interaction locality enums.
file	md_enums.cpp
file	mdatom.h
file	mdrunoptions.h
	This file declares helper functionality for legacy option handling for mdrun.
file	multipletimestepping.cpp
file	multipletimestepping.h
file	nblist.h
	Declares atom pair list class t_nblist.
file	observableshistory.cpp
file	observableshistory.h
	This file contains the definition of a container for history data for simulation observables.
file	observablesreducer.cpp
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	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
file	state_propagator_data_gpu_impl.cpp
file	state_propagator_data_gpu_impl.h
file	state_propagator_data_gpu_impl_gpu.cpp
file	swaphistory.h
file	threaded_force_buffer.cpp
file	threaded_force_buffer.h