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
	Defines functions of the AWH history used by modular checkpointing.
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
	Defines the checkpoint data structure for the modular simulator.
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
	Implements the ForceBuffers class.
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
	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	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
file	observableshistory.cpp
file	observableshistory.h
	This file contains the definition of a container for history data for simulation observables.
file	observablesreducer.cpp
	Defines gmx::ObservablesReducer and its builder.
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
	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
file	threaded_force_buffer.cpp
	This file defines the implementation of ThreadForceBuffer and ThreadedForceBuffer.
file	threaded_force_buffer.h
	This file contains the declaration of ThreadForceBuffer and ThreadedForceBuffer.