This functor generates lists of particles within interactionLength of each other, which could be used within user simulators to replace their neighbor identification/contact detection/cutoff check passes, although they should consider the warning below. More...

#include <NeighborIdentificationFunctor.h>

Inheritance diagram for autopas::NeighborIdentificationFunctor< Particle_T >:

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Collaboration diagram for autopas::NeighborIdentificationFunctor< Particle_T >:

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Public Member Functions
	NeighborIdentificationFunctor (AoSNeighborListPolicy< Particle_T > &policy, double interactionLength, const bool gatherNewton3Lists)
	Constructor.

std::string	getName () override
	Returns name of functor.

template<class ParticleIterator_T >
void	initializeNeighborList (ParticleIterator_T particlesBegin)
	Initializes the neighbor list map for the given range of particles: clears any previous contents and inserts an empty neighbor list for every particle.

bool	isRelevantForTuning () override
	Whether the functor is relevant for tuning.

Public Member Functions inherited from autopas::InteractionListGeneratorFunctor< Particle_T, AoSNeighborListPolicy< Particle_T > >
	InteractionListGeneratorFunctor (NeighborListPolicy_T &neighborListPolicy, double interactionLength, const bool gatherNewton3Lists)
	Constructor.

std::string	getName () override

bool	isRelevantForTuning () override
	The InteractionListGeneratorFunctor is meant to be used internally and as such is not tuning relevant.

bool	allowsNewton3 () override
	Whether InteractionListGeneratorFunctor allows Newton3.

bool	allowsNonNewton3 () override
	Whether InteractionListGeneratorFunctor allows non-newton3.

void	AoSFunctor (Particle_T &i, Particle_T &j, bool newton3) override
	AoSFunctor for interaction list generation.

void	SoAFunctorSingle (SoAView< SoAArraysType > soa, bool) override
	SoAFunctor for verlet list generation.

void	SoAFunctorPair (SoAView< SoAArraysType > soa1, SoAView< SoAArraysType > soa2, bool newton3) override
	SoAFunctor for the verlet list generation.

void	SoAFunctorVerlet (SoAView< SoAArraysType > soa, const size_t indexFirst, std::span< const size_t > neighborList, bool newton3) override
	SoAFunctorVerlet for interaction list generation.

Public Member Functions inherited from autopas::PairwiseFunctor< Particle_T, InteractionListGeneratorFunctor< Particle_T, NeighborListPolicy_T > >
	PairwiseFunctor (double cutoff)
	Constructor.

virtual void	AoSFunctor (Particle_T &i, Particle_T &j, bool newton3)
	PairwiseFunctor for arrays of structures (AoS).

virtual void	SoAFunctorSingle (SoAView< SoAArraysType > soa, bool newton3)
	PairwiseFunctor for structure of arrays (SoA)

virtual void	SoAFunctorVerlet (SoAView< SoAArraysType > soa, const size_t indexFirst, std::span< const size_t > neighborList, bool newton3)
	PairwiseFunctor for structure of arrays (SoA) for neighbor lists.

virtual void	SoAFunctorPair (SoAView< SoAArraysType > soa1, SoAView< SoAArraysType > soa2, bool newton3)
	PairwiseFunctor for structure of arrays (SoA)

virtual void	SoAFunctorPairSorted (SoAView< SoAArraysType > soa1, SoAView< SoAArraysType > soa2, const SoASortingData &sortingData, bool newton3)
	SoAFunctorPair on pre-sorted, pre-packed SoA views.

bool	isVecPatternAllowed (const VectorizationPatternOption::Value vecPattern) override
	Specifies whether the functor is capable of using the specified Vectorization Pattern in the SoA functor.

Public Member Functions inherited from autopas::Functor< Particle_T, CRTP_T >
	Functor (double cutoff)
	Constructor.

virtual void	initTraversal ()
	This function is called at the start of each traversal.

virtual void	endTraversal (bool newton3)
	This function is called at the end of each traversal.

template<class ParticleCell >
void	SoALoader (ParticleCell &cell, SoA< SoAArraysType > &soa, size_t offset, bool skipSoAResize)
	Copies the AoS data of the given cell in the given soa.

template<typename ParticleCell >
void	SoAExtractor (ParticleCell &cell, SoA< SoAArraysType > &soa, size_t offset)
	Copies the data stored in the soa back into the cell.

virtual bool	allowsNewton3 ()=0
	Specifies whether the functor is capable of Newton3-like functors.

virtual bool	allowsNonNewton3 ()=0
	Specifies whether the functor is capable of non-Newton3-like functors.

virtual bool	isVecPatternAllowed (const VectorizationPatternOption::Value vecPattern)=0
	Specifies whether the functor is capable of using the specified Vectorization Pattern in the SoA functor.

virtual bool	isRelevantForTuning ()=0
	Specifies whether the functor should be considered for the auto-tuning process.

virtual std::string	getName ()=0
	Returns name of functor.

double	getCutoff () const
	Getter for the functor's cutoff.

virtual void	setVecPattern (const VectorizationPatternOption::Value vecPattern)
	Setter for the vectorization pattern to be used.

virtual size_t	getNumFLOPs () const
	Get the number of FLOPs.

virtual double	getHitRate () const
	Get the hit rate.

Additional Inherited Members
Public Types inherited from autopas::InteractionListGeneratorFunctor< Particle_T, AoSNeighborListPolicy< Particle_T > >
using	SoAArraysType = Particle_T::SoAArraysType
	Structure of the SoAs defined by the particle.

Public Types inherited from autopas::PairwiseFunctor< Particle_T, InteractionListGeneratorFunctor< Particle_T, NeighborListPolicy_T > >
using	SoAArraysType = typename Particle_T::SoAArraysType
	Structure of the SoAs defined by the particle.

Public Types inherited from autopas::Functor< Particle_T, CRTP_T >
using	SoAArraysType = typename Particle_T::SoAArraysType
	Structure of the SoAs defined by the particle.

using	Functor_T = CRTP_T
	Make the Implementation type template publicly available.

Static Public Member Functions inherited from autopas::InteractionListGeneratorFunctor< Particle_T, AoSNeighborListPolicy< Particle_T > >
static constexpr std::array< typename Particle_T::AttributeNames, 5 >	getNeededAttr ()
	Get attributes needed for computation.

static constexpr std::array< typename Particle_T::AttributeNames, 5 >	getNeededAttr (std::false_type)
	Get attributes needed for computation without N3 optimization.

static constexpr std::array< typename Particle_T::AttributeNames, 0 >	getComputedAttr ()
	Get attributes computed by this functor.

Static Public Member Functions inherited from autopas::Functor< Particle_T, CRTP_T >
static constexpr std::array< typename Particle_T::AttributeNames, 0 >	getNeededAttr ()
	Get attributes needed for computation.

static constexpr std::array< typename Particle_T::AttributeNames, 0 >	getNeededAttr (std::false_type)
	Get attributes needed for computation without N3 optimization.

static constexpr std::array< typename Particle_T::AttributeNames, 0 >	getComputedAttr ()
	Get attributes computed by this functor.

Static Public Attributes inherited from autopas::Functor< Particle_T, CRTP_T >
static constexpr bool	supportsSoASorting = false
	Whether this functor supports the SortedSoAView optimization path (SoAFunctorPairSorted).

Detailed Description

template<class Particle_T>
class autopas::NeighborIdentificationFunctor< Particle_T >

This functor generates lists of particles within interactionLength of each other, which could be used within user simulators to replace their neighbor identification/contact detection/cutoff check passes, although they should consider the warning below.

In some fields this can be called "cutoff checking" or "broad-phase contact detection" but we will refer to this in this file as neighbor identification.

Warning: To take fully advantage of AutoPas, we recommend, instead of using this functor and apply forces externally to AutoPas, using a functor which integrates neighbor identification and force calculation in one call over using this functor (see LJFunctor.h as an example). We provide this functor primarily for codes which already perform separate neighbor identification and force calculation passes, to easily experience some benefit of AutoPas with minimal code refactors.

After applying AutoPas's computeInteractions function with this functor, a std::unordered_map<Particle_T *, std::vector<Particle_T *>> is filled, mapping from each particle pointer to a vector of pointers to all particles within interactionLength of the first.

Template Parameters

Particle_T The type of Particle class used.

Constructor & Destructor Documentation

◆ NeighborIdentificationFunctor()

template<class Particle_T >

autopas::NeighborIdentificationFunctor< Particle_T >::NeighborIdentificationFunctor	(	AoSNeighborListPolicy< Particle_T > &	policy,
		double	interactionLength,
		const bool	gatherNewton3Lists
	)

inline

Constructor.

Parameters

policy	Reference to the neighbor list map. When used with AutoPas::computeInteractions, the map will be overridden.
interactionLength	The distance between particles within which particle pairs get added to the neighbor lists.
gatherNewton3Lists	If false, for a particle pair i, j that are neighbors, both particle j will be in particle i's list and particle i will be in particle j's list. If true, for a particle pair i, j that are neighbors, either particle j will be in particle i's list or particle i will be in particle j's list. The latter can be used more easily to reduce calculations by applying forces to both particles in the pair, but care should be taken to avoid race conditions. If true, we make no guarantee which of particle i or j will be in the other's list. If true, this functor will only allow functor calls with newton3 enabled.

Member Function Documentation

◆ getName()

template<class Particle_T >

std::string autopas::NeighborIdentificationFunctor< Particle_T >::getName ( )

inlineoverridevirtual

Returns name of functor.

Intended for use with the iteration logger, to differentiate between calls to computeInteractions using different functors in the logs.

Returns: name of functor.

Implements autopas::Functor< Particle_T, CRTP_T >.

◆ initializeNeighborList()

template<class Particle_T >

template<class ParticleIterator_T >

void autopas::NeighborIdentificationFunctor< Particle_T >::initializeNeighborList ( ParticleIterator_T particlesBegin )

inline

Initializes the neighbor list map for the given range of particles: clears any previous contents and inserts an empty neighbor list for every particle.

This must happen before the functor is applied, and it must also happen after any particle rearrangement in memory. AutoPas's computeInteractions() calls this automatically when this functor (or a child of it) is used, so the handling of the list is safe when used with computeInteractions.

Template Parameters

ParticleIterator_T Type of the particle iterator

Parameters

particlesBegin Iterator to the first particle. Iterated until no longer valid.

◆ isRelevantForTuning()

template<class Particle_T >

bool autopas::NeighborIdentificationFunctor< Particle_T >::isRelevantForTuning ( )

inlineoverridevirtual

Whether the functor is relevant for tuning.

Returns: true

Implements autopas::Functor< Particle_T, CRTP_T >.

The documentation for this class was generated from the following file:

/github/workspace/applicationLibrary/neighborIdentification/neighborIdentificationLibrary/NeighborIdentificationFunctor.h

Public Member Functions

Additional Inherited Members

Detailed Description

Constructor & Destructor Documentation

◆ NeighborIdentificationFunctor()

Member Function Documentation

◆ getName()

◆ initializeNeighborList()

◆ isRelevantForTuning()