#include <TriwiseFunctor.h>

Inheritance diagram for autopas::TriwiseFunctor< Particle_T, CRTP_T >:

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Collaboration diagram for autopas::TriwiseFunctor< Particle_T, CRTP_T >:

Public Types
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
	TriwiseFunctor (double cutoff)
	Constructor.

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

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

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

virtual void	SoAFunctorTriple (SoAView< SoAArraysType > soa1, SoAView< SoAArraysType > soa2, SoAView< SoAArraysType > soa3, bool newton3)
	TriwiseFunctor 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)
	TriwiseFunctor for structure of arrays (SoA) for neighbor lists.

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
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 CRTP_T>
class autopas::TriwiseFunctor< Particle_T, CRTP_T >

TriwiseFunctor class.

This class describes the triwise interactions between particles.

Functor base class.

Both an array of structure (AoS) and a structure of array (SoA) are supported to be used with functors. Newton3: A functor does not have to implement both a newton3 and a non-newton3 version. Instead you can specify, which version you use by overriding allowsNonNewton3 resp. allowsNewton3

Template Parameters

Particle_T	the type of Particle
CRTP_T	the actual type of the functor
Particle_T	the type of Particle
CRTP_T	the actual type of the functor

Constructor & Destructor Documentation

◆ TriwiseFunctor()

template<class Particle_T , class CRTP_T >

autopas::TriwiseFunctor< Particle_T, CRTP_T >::TriwiseFunctor ( double cutoff )

inlineexplicit

Constructor.

Parameters

cutoff

Member Function Documentation

◆ AoSFunctor()

template<class Particle_T , class CRTP_T >

virtual void autopas::TriwiseFunctor< Particle_T, CRTP_T >::AoSFunctor	(	Particle_T &	i,
		Particle_T &	j,
		Particle_T &	k,
		bool	newton3
	)

inlinevirtual

TriwiseFunctor for arrays of structures (AoS).

This functor should calculate the forces or any triwise interaction between three particles. This should include a cutoff check if needed!

Parameters

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

Reimplemented in mdLib::AxilrodTellerMutoFunctor< Particle_T, useMixing, useNewton3, calculateGlobals, countFLOPs >.

◆ isVecPatternAllowed()

template<class Particle_T , class CRTP_T >

bool autopas::TriwiseFunctor< Particle_T, CRTP_T >::isVecPatternAllowed ( const VectorizationPatternOption::Value vecPattern )

inlineoverridevirtual

Specifies whether the functor is capable of using the specified Vectorization Pattern in the SoA functor.

Note: Currently Vectorization Patterns are not implemented for threebody interactions. p1xVec is used as default.

Parameters

vecPattern

Returns: whether the functor is capable of using the specified Vectorization Pattern

Implements autopas::Functor< Particle_T, CRTP_T >.

◆ SoAFunctorPair()

template<class Particle_T , class CRTP_T >

virtual void autopas::TriwiseFunctor< Particle_T, CRTP_T >::SoAFunctorPair	(	SoAView< SoAArraysType >	soa1,
		SoAView< SoAArraysType >	soa2,
		bool	newton3
	)

inlinevirtual

TriwiseFunctor for structure of arrays (SoA)

This functor should calculate the forces or any other triwise interaction between all particles of soa1 and soa2. It should always calculate forces for all particles in soa1, even when newton3 == false. This should include a cutoff check if needed!

Parameters

soa1	First structure of arrays.
soa2	Second structure of arrays.
newton3	defines whether or whether not to use newton 3

◆ SoAFunctorSingle()

template<class Particle_T , class CRTP_T >

virtual void autopas::TriwiseFunctor< Particle_T, CRTP_T >::SoAFunctorSingle	(	SoAView< SoAArraysType >	soa,
		bool	newton3
	)

inlinevirtual

TriwiseFunctor for structure of arrays (SoA)

This functor should calculate the forces or any other triwise interaction between all particles in an soa. This should include a cutoff check if needed!

Parameters

soa	Structure of arrays
newton3	defines whether or whether not to use newton 3

◆ SoAFunctorTriple()

template<class Particle_T , class CRTP_T >

virtual void autopas::TriwiseFunctor< Particle_T, CRTP_T >::SoAFunctorTriple	(	SoAView< SoAArraysType >	soa1,
		SoAView< SoAArraysType >	soa2,
		SoAView< SoAArraysType >	soa3,
		bool	newton3
	)

inlinevirtual

TriwiseFunctor for structure of arrays (SoA)

This functor should calculate the forces or any other triwise interaction between all particles of soa1 and soa2 and soa3. This should include a cutoff check if needed!

Parameters

soa1	First structure of arrays.
soa2	Second structure of arrays.
soa3	Third structure of arrays.
newton3	defines whether or whether not to use newton 3

◆ SoAFunctorVerlet()

template<class Particle_T , class CRTP_T >

virtual void autopas::TriwiseFunctor< Particle_T, CRTP_T >::SoAFunctorVerlet	(	SoAView< SoAArraysType >	soa,
		const size_t	indexFirst,
		const std::vector< size_t, AlignedAllocator< size_t > > &	neighborList,
		bool	newton3
	)

inlinevirtual

TriwiseFunctor for structure of arrays (SoA) for neighbor lists.

This functor should calculate the forces or any other triwise interaction between the particles in the SoA with index indexFirst and all particles with indices in the neighborList. This should include a cutoff check if needed!

Parameters

soa	Structure of arrays
indexFirst	The index of the first particle for each interaction
neighborList	The list of neighbors
newton3	defines whether or whether not to use newton 3

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

autopas/baseFunctors/TriwiseFunctor.h

Public Types

Public Member Functions

Additional Inherited Members

Detailed Description

Constructor & Destructor Documentation

◆ TriwiseFunctor()

Member Function Documentation

◆ AoSFunctor()

◆ isVecPatternAllowed()

◆ SoAFunctorPair()

◆ SoAFunctorSingle()

◆ SoAFunctorTriple()

◆ SoAFunctorVerlet()