This functor can generate verlet lists using the typical pairwise traversal. More...

#include <VerletListHelpers.h>

Inheritance diagram for autopas::VerletListHelpers< Particle_T >::VerletListGeneratorFunctor:

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Collaboration diagram for autopas::VerletListHelpers< Particle_T >::VerletListGeneratorFunctor:

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Public Types
using	SoAArraysType = typename Particle_T::SoAArraysType
	Structure of the SoAs defined by the particle.

Public Types inherited from autopas::PairwiseFunctor< Particle_T, VerletListGeneratorFunctor >
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.

Public Member Functions
	VerletListGeneratorFunctor (NeighborListAoSType &verletListsAoS, double interactionLength)
	Constructor.

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

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

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

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

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

void	SoAFunctorSingle (SoAView< SoAArraysType > soa, bool newton3) override
	SoAFunctor for verlet list generation.

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

Public Member Functions inherited from autopas::PairwiseFunctor< Particle_T, VerletListGeneratorFunctor >
	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, const std::vector< size_t, AlignedAllocator< 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)

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	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 size_t	getNumFLOPs () const
	Get the number of FLOPs.

virtual double	getHitRate () const
	Get the hit rate.

Static Public Member Functions
static constexpr std::array< typename Particle_T::AttributeNames, 4 >	getNeededAttr ()
	Get attributes needed for computation.

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.

Detailed Description

template<class Particle_T>
class autopas::VerletListHelpers< Particle_T >::VerletListGeneratorFunctor

This functor can generate verlet lists using the typical pairwise traversal.

Constructor & Destructor Documentation

◆ VerletListGeneratorFunctor()

template<class Particle_T >

autopas::VerletListHelpers< Particle_T >::VerletListGeneratorFunctor::VerletListGeneratorFunctor	(	NeighborListAoSType &	verletListsAoS,
		double	interactionLength
	)

inline

Constructor.

Parameters

verletListsAoS
interactionLength

Member Function Documentation

◆ allowsNewton3()

template<class Particle_T >

bool autopas::VerletListHelpers< Particle_T >::VerletListGeneratorFunctor::allowsNewton3 ( )

inlineoverridevirtual

Specifies whether the functor is capable of Newton3-like functors.

If the functor provides an interface to soa or aos functions that utilize Newton's third law of motion (actio = reactio) to reduce the computational complexity this function should return true. If this is not the case this function should return false.

Returns: true if and only if this functor provides an interface to Newton3-like functions.

Implements autopas::Functor< Particle_T, CRTP_T >.

◆ allowsNonNewton3()

template<class Particle_T >

bool autopas::VerletListHelpers< Particle_T >::VerletListGeneratorFunctor::allowsNonNewton3 ( )

inlineoverridevirtual

Specifies whether the functor is capable of non-Newton3-like functors.

If the functor provides an interface to soa or aos functions that do not utilize Newton's third law of motion (actio = reactio) this function should return true. If this is not the case this function should return false.

Returns: true if and only if this functor provides an interface to functions that do not utilize Newton3.

Implements autopas::Functor< Particle_T, CRTP_T >.

◆ AoSFunctor()

template<class Particle_T >

void autopas::VerletListHelpers< Particle_T >::VerletListGeneratorFunctor::AoSFunctor	(	Particle_T &	i,
		Particle_T &	j,
		bool	newton3
	)

inlineoverridevirtual

PairwiseFunctor for arrays of structures (AoS).

This functor should calculate the forces or any other pair-wise interaction between two particles. This should include a cutoff check if needed!

Parameters

i	Particle i
j	Particle j
newton3	defines whether or whether not to use newton 3

Reimplemented from autopas::PairwiseFunctor< Particle_T, VerletListGeneratorFunctor >.

◆ getComputedAttr()

template<class Particle_T >

static constexpr std::array< typename Particle_T::AttributeNames, 0 > autopas::VerletListHelpers< Particle_T >::VerletListGeneratorFunctor::getComputedAttr ( )

inlinestaticconstexpr

Get attributes computed by this functor.

Returns: Attributes computed by this functor.

Todo:: C++20: make this function virtual

◆ getName()

template<class Particle_T >

std::string autopas::VerletListHelpers< Particle_T >::VerletListGeneratorFunctor::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 >.

◆ getNeededAttr()

template<class Particle_T >

static constexpr std::array< typename Particle_T::AttributeNames, 4 > autopas::VerletListHelpers< Particle_T >::VerletListGeneratorFunctor::getNeededAttr ( )

inlinestaticconstexpr

Get attributes needed for computation.

Returns: Attributes needed for computation.

Todo:: C++20: make this function virtual

◆ isRelevantForTuning()

template<class Particle_T >

bool autopas::VerletListHelpers< Particle_T >::VerletListGeneratorFunctor::isRelevantForTuning ( )

inlineoverridevirtual

Specifies whether the functor should be considered for the auto-tuning process.

Returns: true if and only if this functor is relevant for auto-tuning.

Implements autopas::Functor< Particle_T, CRTP_T >.

◆ SoAFunctorPair()

template<class Particle_T >

void autopas::VerletListHelpers< Particle_T >::VerletListGeneratorFunctor::SoAFunctorPair	(	SoAView< SoAArraysType >	soa1,
		SoAView< SoAArraysType >	soa2,
		bool
	)

inlineoverridevirtual

SoAFunctor for the verlet list generation.

(two cell version)

Parameters

soa1	soa of first cell
soa2	soa of second cell

Note: newton3 is ignored here, as for newton3=false SoAFunctorPair(soa2, soa1) will also be called.

Reimplemented from autopas::PairwiseFunctor< Particle_T, VerletListGeneratorFunctor >.

◆ SoAFunctorSingle()

template<class Particle_T >

void autopas::VerletListHelpers< Particle_T >::VerletListGeneratorFunctor::SoAFunctorSingle	(	SoAView< SoAArraysType >	soa,
		bool	newton3
	)

inlineoverridevirtual

SoAFunctor for verlet list generation.

(single cell version)

Parameters

soa	the soa
newton3	whether to use newton 3

Reimplemented from autopas::PairwiseFunctor< Particle_T, VerletListGeneratorFunctor >.

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

autopas/containers/verletListsCellBased/verletLists/VerletListHelpers.h

Public Types

Public Member Functions

Static Public Member Functions

Detailed Description

Constructor & Destructor Documentation

◆ VerletListGeneratorFunctor()

Member Function Documentation

◆ allowsNewton3()

◆ allowsNonNewton3()

◆ AoSFunctor()

◆ getComputedAttr()

◆ getName()

◆ getNeededAttr()

◆ isRelevantForTuning()

◆ SoAFunctorPair()

◆ SoAFunctorSingle()