#include <LinkedCells.h>

Inheritance diagram for autopas::LinkedCells< Particle_T >:

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Collaboration diagram for autopas::LinkedCells< Particle_T >:

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Public Types
using	ParticleCell = FullParticleCell< Particle_T >
	Type of the ParticleCell.

using	ParticleType = typename ParticleCell::ParticleType
	Type of the Particle.

Public Types inherited from autopas::ParticleContainerInterface< ParticleCell::ParticleType >
using	ParticleType = ParticleCell::ParticleType
	Type of the Particle.

Public Member Functions
	LinkedCells (const std::array< double, 3 > &boxMin, const std::array< double, 3 > &boxMax, const double cutoff, const double skin, const unsigned int rebuildFrequency, const double cellSizeFactor=1.0, LoadEstimatorOption loadEstimator=LoadEstimatorOption::squaredParticlesPerCell)
	Constructor of the LinkedCells class.

ContainerOption	getContainerType () const override
	Get the ContainerType.

CellType	getParticleCellTypeEnum () const override
	Get the ParticleCell type as an Enum.

void	reserve (size_t numParticles, size_t numParticlesHaloEstimate) override
	Reserve memory for a given number of particles in the container and logic layers.

void	addParticleImpl (const ParticleType &p) override
	Adds a particle to the container.

void	addHaloParticleImpl (const ParticleType &haloParticle) override
	Adds a particle to the container that lies in the halo region of the container.

bool	updateHaloParticle (const ParticleType &haloParticle) override
	Update a halo particle of the container with the given haloParticle.

void	deleteHaloParticles () override
	Deletes all halo particles.

void	rebuildNeighborLists (TraversalInterface *traversal) override
	Rebuilds the neighbor lists for the next traversals.

BalancedTraversal::EstimatorFunction	getLoadEstimatorFunction ()
	Generates the load estimation function depending on _loadEstimator.

void	computeInteractions (TraversalInterface *traversal) override
	Iterates over all particle multiples (e.g.

std::vector< ParticleType >	updateContainer (bool keepNeighborListsValid) override
	Updates the container.

TraversalSelectorInfo	getTraversalSelectorInfo () const override
	Generates a traversal selector info for this container.

std::tuple< const Particle_T *, size_t, size_t >	getParticle (size_t cellIndex, size_t particleIndex, IteratorBehavior iteratorBehavior, const std::array< double, 3 > &boxMin, const std::array< double, 3 > &boxMax) const override
	Fetch the pointer to a particle, identified via a cell and particle index.

std::tuple< const Particle_T *, size_t, size_t >	getParticle (size_t cellIndex, size_t particleIndex, IteratorBehavior iteratorBehavior) const override
	Fetch the pointer to a particle, identified via a cell and particle index.

template<bool regionIter>
std::tuple< const Particle_T *, size_t, size_t >	getParticleImpl (size_t cellIndex, size_t particleIndex, IteratorBehavior iteratorBehavior, const std::array< double, 3 > &boxMin, const std::array< double, 3 > &boxMax) const
	Container specific implementation for getParticle.

bool	deleteParticle (Particle_T &particle) override
	Deletes the given particle as long as this does not compromise the validity of the container.

bool	deleteParticle (size_t cellIndex, size_t particleIndex) override
	Deletes the particle at the given index positions as long as this does not compromise the validity of the container.

ContainerIterator< ParticleType, true, false >	begin (IteratorBehavior behavior=autopas::IteratorBehavior::ownedOrHalo, typename ContainerIterator< ParticleType, true, false >::ParticleVecType *additionalVectors=nullptr) override
	Iterate over all particles using for(auto iter = container.begin(); iter.isValid(); ++iter) .

ContainerIterator< ParticleType, false, false >	begin (IteratorBehavior behavior=autopas::IteratorBehavior::ownedOrHalo, typename ContainerIterator< ParticleType, false, false >::ParticleVecType *additionalVectors=nullptr) const override
	Iterate over all particles using for(auto iter = container.begin(); iter.isValid(); ++iter) .

template<typename Lambda >
void	forEach (Lambda forEachLambda, IteratorBehavior behavior=IteratorBehavior::ownedOrHalo)
	Execute code on all particles in this container as defined by a lambda function.

template<typename Lambda , typename A >
void	reduce (Lambda reduceLambda, A &result, IteratorBehavior behavior=IteratorBehavior::ownedOrHalo)
	Reduce properties of particles as defined by a lambda function.

ContainerIterator< ParticleType, true, true >	getRegionIterator (const std::array< double, 3 > &lowerCorner, const std::array< double, 3 > &higherCorner, IteratorBehavior behavior, typename ContainerIterator< ParticleType, true, true >::ParticleVecType *additionalVectors=nullptr) override
	Iterate over all particles in a specified region for(auto iter = container.getRegionIterator(lowCorner, highCorner);iter.isValid();++iter) .

ContainerIterator< ParticleType, false, true >	getRegionIterator (const std::array< double, 3 > &lowerCorner, const std::array< double, 3 > &higherCorner, IteratorBehavior behavior, typename ContainerIterator< ParticleType, false, true >::ParticleVecType *additionalVectors=nullptr) const override
	Iterate over all particles in a specified region for(auto iter = container.getRegionIterator(lowCorner, highCorner);iter.isValid();++iter) .

template<typename Lambda >
void	forEachInRegion (Lambda forEachLambda, const std::array< double, 3 > &lowerCorner, const std::array< double, 3 > &higherCorner, IteratorBehavior behavior)
	Execute code on all particles in this container in a certain region as defined by a lambda function.

template<typename Lambda , typename A >
void	reduceInRegion (Lambda reduceLambda, A &result, const std::array< double, 3 > &lowerCorner, const std::array< double, 3 > &higherCorner, IteratorBehavior behavior)
	Execute code on all particles in this container in a certain region as defined by a lambda function.

internal::CellBlock3D< ParticleCell > &	getCellBlock ()
	Get the cell block, not supposed to be used except by verlet lists.

const internal::CellBlock3D< ParticleCell > &	getCellBlock () const
	Get the cell block, not supposed to be used except by verlet lists.

std::vector< ParticleCell > &	getCells ()
	Returns a non-const reference to the cell data structure.

Public Member Functions inherited from autopas::CellBasedParticleContainer< FullParticleCell< Particle_T > >
	CellBasedParticleContainer (const std::array< double, 3 > &boxMin, const std::array< double, 3 > &boxMax, const double cutoff, double skin, unsigned int rebuildFrequency)
	Constructor of CellBasedParticleContainer.

	CellBasedParticleContainer (const CellBasedParticleContainer &obj)=delete
	Delete the copy constructor to prevent unwanted copies.

	~CellBasedParticleContainer () override=default
	Destructor of CellBasedParticleContainer.

CellBasedParticleContainer &	operator= (const CellBasedParticleContainer &other)=delete
	Delete the copy assignment operator to prevent unwanted copies No particle container should ever be copied.

const std::array< double, 3 > &	getBoxMax () const final
	Get the upper corner of the container without halo.

const std::array< double, 3 > &	getBoxMin () const final
	Get the lower corner of the container without halo.

double	getCutoff () const final
	Return the cutoff of the container.

void	setCutoff (double cutoff) final
	Set the cutoff of the container.

double	getInteractionLength () const final
	Return the interaction length (cutoff+skin) of the container.

double	getVerletSkin () const final
	Returns the verlet Skin length.

void	deleteAllParticles () override
	Deletes all particles from the container.

size_t	getNumberOfParticles (IteratorBehavior behavior) const override
	Get the number of particles with respect to the specified IteratorBehavior.

size_t	size () const override
	Get the total number of particles saved in the container (owned + halo + dummy).

const std::vector< FullParticleCell< Particle_T > > &	getCells () const
	Get immutable vector of cells.

Public Member Functions inherited from autopas::ParticleContainerInterface< ParticleCell::ParticleType >
virtual CellType	getParticleCellTypeEnum () const=0
	Get the ParticleCell type as an Enum.

	ParticleContainerInterface (double skin)
	Constructor.

	ParticleContainerInterface (const ParticleContainerInterface &obj)=delete
	Delete the copy constructor to prevent unwanted copies.

virtual	~ParticleContainerInterface ()=default
	Destructor of ParticleContainerInterface.

ParticleContainerInterface &	operator= (const ParticleContainerInterface &other)=delete
	Delete the copy assignment operator to prevent unwanted copies.

virtual ContainerOption	getContainerType () const=0
	Get the ContainerType.

virtual void	reserve (size_t numParticles, size_t numParticlesHaloEstimate)=0
	Reserve memory for a given number of particles in the container and logic layers.

void	addParticle (const ParticleCell::ParticleType &p)
	Adds a particle to the container.

void	addHaloParticle (const ParticleCell::ParticleType &haloParticle)
	Adds a particle to the container that lies in the halo region of the container.

virtual bool	updateHaloParticle (const ParticleCell::ParticleType &haloParticle)=0
	Update a halo particle of the container with the given haloParticle.

virtual void	rebuildNeighborLists (TraversalInterface *traversal)=0
	Rebuilds the neighbor lists for the next traversals.

virtual void	deleteHaloParticles ()=0
	Deletes all halo particles.

virtual void	deleteAllParticles ()=0
	Deletes all particles.

virtual size_t	getNumberOfParticles (IteratorBehavior behavior=IteratorBehavior::owned) const=0
	Get the number of particles with respect to the specified IteratorBehavior.

virtual size_t	size () const=0
	Get the total number of particles saved in the container (owned + halo + dummy).

virtual ContainerIterator< ParticleType, true, false >	begin (IteratorBehavior behavior=autopas::IteratorBehavior::ownedOrHalo, typename ContainerIterator< ParticleType, true, false >::ParticleVecType *additionalVectors=nullptr)=0
	Iterate over all particles using for(auto iter = container.begin(); iter.isValid(); ++iter) .

virtual ContainerIterator< ParticleType, false, false >	begin (IteratorBehavior behavior=autopas::IteratorBehavior::ownedOrHalo, typename ContainerIterator< ParticleType, false, false >::ParticleVecType *additionalVectors=nullptr) const=0
	Iterate over all particles using for(auto iter = container.begin(); iter.isValid(); ++iter) .

virtual ContainerIterator< ParticleType, false, false >	cbegin (IteratorBehavior behavior=autopas::IteratorBehavior::ownedOrHalo, typename ContainerIterator< ParticleType, false, false >::ParticleVecType *additionalVectors=nullptr) const final
	Iterate over all particles using for(auto iter = container.begin(); iter.isValid(); ++iter) .

virtual ContainerIterator< ParticleType, true, true >	getRegionIterator (const std::array< double, 3 > &lowerCorner, const std::array< double, 3 > &higherCorner, IteratorBehavior behavior, typename ContainerIterator< ParticleType, true, true >::ParticleVecType *additionalVectors=nullptr)=0
	Iterate over all particles in a specified region for(auto iter = container.getRegionIterator(lowCorner, highCorner);iter.isValid();++iter) .

virtual ContainerIterator< ParticleType, false, true >	getRegionIterator (const std::array< double, 3 > &lowerCorner, const std::array< double, 3 > &higherCorner, IteratorBehavior behavior, typename ContainerIterator< ParticleType, false, true >::ParticleVecType *additionalVectors=nullptr) const=0
	Iterate over all particles in a specified region for(auto iter = container.getRegionIterator(lowCorner, highCorner);iter.isValid();++iter) .

constexpr bool	end () const
	Dummy to make range-based for loops work.

virtual void	computeInteractions (TraversalInterface *traversal)=0
	Iterates over all particle multiples (e.g.

virtual const std::array< double, 3 > &	getBoxMax () const=0
	Get the upper corner of the container without halo.

virtual const std::array< double, 3 > &	getBoxMin () const=0
	Get the lower corner of the container without halo.

virtual double	getCutoff () const=0
	Return the cutoff of the container.

virtual void	setCutoff (double cutoff)=0
	Set the cutoff of the container.

virtual double	getVerletSkin () const=0
	Return the verletSkin of the container verletSkin.

virtual size_t	getStepsSinceLastRebuild () const
	Return the number of time-steps since last neighbor list rebuild.

virtual void	setStepsSinceLastRebuild (size_t stepsSinceLastRebuild)
	Set the number of time-steps since last neighbor list rebuild.

virtual double	getInteractionLength () const=0
	Return the interaction length (cutoff+skin) of the container.

virtual std::vector< ParticleType >	updateContainer (bool keepNeighborListsValid)=0
	Updates the container.

virtual TraversalSelectorInfo	getTraversalSelectorInfo () const=0
	Generates a traversal selector info for this container.

std::set< TraversalOption >	getAllTraversals (const InteractionTypeOption interactionType) const
	Generates a list of all traversals that are theoretically applicable to this container.

virtual std::tuple< const ParticleCell::ParticleType *, size_t, size_t >	getParticle (size_t cellIndex, size_t particleIndex, IteratorBehavior iteratorBehavior) const=0
	Fetch the pointer to a particle, identified via a cell and particle index.

virtual std::tuple< const ParticleCell::ParticleType *, size_t, size_t >	getParticle (size_t cellIndex, size_t particleIndex, IteratorBehavior iteratorBehavior, const std::array< double, 3 > &boxMin, const std::array< double, 3 > &boxMax) const=0
	Fetch the pointer to a particle, identified via a cell and particle index.

std::tuple< ParticleCell::ParticleType *, size_t, size_t >	getParticle (size_t cellIndex, size_t particleIndex, IteratorBehavior iteratorBehavior, const std::array< double, 3 > &boxMin, const std::array< double, 3 > &boxMax)
	Fetch the pointer to a particle, identified via a cell and particle index.

std::tuple< ParticleCell::ParticleType *, size_t, size_t >	getParticle (size_t cellIndex, size_t particleIndex, IteratorBehavior iteratorBehavior)
	Fetch the pointer to a particle, identified via a cell and particle index.

virtual bool	deleteParticle (ParticleCell::ParticleType &particle)=0
	Deletes the given particle as long as this does not compromise the validity of the container.

virtual bool	deleteParticle (size_t cellIndex, size_t particleIndex)=0
	Deletes the particle at the given index positions as long as this does not compromise the validity of the container.

Protected Member Functions
template<bool regionIter>
std::tuple< size_t, size_t >	advanceIteratorIndices (size_t cellIndex, size_t particleIndex, IteratorBehavior iteratorBehavior, const std::array< double, 3 > &boxMin, const std::array< double, 3 > &boxMax, std::array< double, 3 > boxMinWithSafetyMargin, std::array< double, 3 > boxMaxWithSafetyMargin, size_t endCellIndex) const
	Given a pair of cell-/particleIndex and iterator restrictions either returns the next indices that match these restrictions or indices that are out of bounds (e.g.

template<typename Traversal >
void	prepareTraversal (Traversal &traversal)
	Checks if a given traversal is allowed for LinkedCells and sets it up for the force interactions.

virtual void	addParticleImpl (const ParticleCell::ParticleType &p)=0
	Adds a particle to the container.

virtual void	addHaloParticleImpl (const ParticleCell::ParticleType &haloParticle)=0
	Adds a particle to the container that lies in the halo region of the container.

Protected Attributes
internal::CellBlock3D< ParticleCell >	_cellBlock
	object to manage the block of cells.

autopas::LoadEstimatorOption	_loadEstimator
	load estimation algorithm for balanced traversals.

Protected Attributes inherited from autopas::CellBasedParticleContainer< FullParticleCell< Particle_T > >
std::vector< FullParticleCell< Particle_T > >	_cells
	Vector of particle cells.

Protected Attributes inherited from autopas::ParticleContainerInterface< ParticleCell::ParticleType >
size_t	_stepsSinceLastRebuild
	Stores the number of time-steps since last neighbor list rebuild.

double	_skin
	Skin distance a particle is allowed to move in one time-step.

Detailed Description

template<class Particle_T>
class autopas::LinkedCells< Particle_T >

LinkedCells class.

This class uses a list of neighboring cells to store the particles. These cells dimensions are at least as large as the given cutoff radius, therefore short-range interactions only need to be calculated between particles in neighboring cells.

Template Parameters

Particle_T type of the Particle

Constructor & Destructor Documentation

◆ LinkedCells()

template<class Particle_T >

autopas::LinkedCells< Particle_T >::LinkedCells	(	const std::array< double, 3 > &	boxMin,
		const std::array< double, 3 > &	boxMax,
		const double	cutoff,
		const double	skin,
		const unsigned int	rebuildFrequency,
		const double	cellSizeFactor = `1.0`,
		LoadEstimatorOption	loadEstimator = `LoadEstimatorOption::squaredParticlesPerCell`
	)

inline

Constructor of the LinkedCells class.

Parameters

boxMin
boxMax
cutoff
skin
rebuildFrequency
cellSizeFactor	cell size factor relative to cutoff
loadEstimator	the load estimation algorithm for balanced traversals. By default all applicable traversals are allowed.

Member Function Documentation

◆ addHaloParticleImpl()

template<class Particle_T >

void autopas::LinkedCells< Particle_T >::addHaloParticleImpl ( const ParticleType & haloParticle )

inlineoverridevirtual

Adds a particle to the container that lies in the halo region of the container.

This is an unsafe version of addParticle() and does not perform a boundary check.

Parameters

haloParticle Particle to be added. This particle is already checked to be outside of the bounding box.

Note: Only call this function if the position of the particle is guaranteed to be outside of the bounding box!

Implements autopas::ParticleContainerInterface< ParticleCell::ParticleType >.

◆ addParticleImpl()

template<class Particle_T >

void autopas::LinkedCells< Particle_T >::addParticleImpl ( const ParticleType & p )

inlineoverridevirtual

Adds a particle to the container.

This is an unsafe version of addParticle() and does not perform a boundary check.

Parameters

p	The particle to be added. This particle is already checked to be inside of the bounding box.

Note: Only call this function if the position of the particle is guaranteed to be inside of the bounding box!

Implements autopas::ParticleContainerInterface< ParticleCell::ParticleType >.

◆ advanceIteratorIndices()

template<class Particle_T >

template<bool regionIter>

std::tuple< size_t, size_t > autopas::LinkedCells< Particle_T >::advanceIteratorIndices	(	size_t	cellIndex,
		size_t	particleIndex,
		IteratorBehavior	iteratorBehavior,
		const std::array< double, 3 > &	boxMin,
		const std::array< double, 3 > &	boxMax,
		std::array< double, 3 >	boxMinWithSafetyMargin,
		std::array< double, 3 >	boxMaxWithSafetyMargin,
		size_t	endCellIndex
	)		const

inlineprotected

Given a pair of cell-/particleIndex and iterator restrictions either returns the next indices that match these restrictions or indices that are out of bounds (e.g.

cellIndex >= cells.size())

Template Parameters

regionIter

Parameters

cellIndex
particleIndex
iteratorBehavior
boxMin	The actual search box min
boxMax	The actual search box max
boxMinWithSafetyMargin	Search box min that includes a surrounding of skin
boxMaxWithSafetyMargin	Search box max that includes a surrounding of skin
endCellIndex	Last relevant cell index

Returns: tuple<cellIndex, particleIndex>

◆ begin() [1/2]

template<class Particle_T >

ContainerIterator< ParticleType, false, false > autopas::LinkedCells< Particle_T >::begin	(	IteratorBehavior	behavior = `autopas::IteratorBehavior::ownedOrHalo`,
		typename ContainerIterator< ParticleType, false, false >::ParticleVecType *	additionalVectors = `nullptr`
	)		const

inlineoverridevirtual

Iterate over all particles using for(auto iter = container.begin(); iter.isValid(); ++iter) .

Note: The default argument for behavior is necessary to enable range based for loops.

Parameters

behavior	Behavior of the iterator, see IteratorBehavior.
additionalVectors	Vectors that should be included besides the container.

Returns: Iterator to the first particle.

Note: const version

Implements autopas::ParticleContainerInterface< ParticleCell::ParticleType >.

◆ begin() [2/2]

template<class Particle_T >

ContainerIterator< ParticleType, true, false > autopas::LinkedCells< Particle_T >::begin	(	IteratorBehavior	behavior = `autopas::IteratorBehavior::ownedOrHalo`,
		typename ContainerIterator< ParticleType, true, false >::ParticleVecType *	additionalVectors = `nullptr`
	)

inlineoverridevirtual

Iterate over all particles using for(auto iter = container.begin(); iter.isValid(); ++iter) .

Note: The default argument for behavior is necessary to enable range based for loops.

Parameters

behavior	Behavior of the iterator, see IteratorBehavior.
additionalVectors	Vectors that should be included besides the container.

Returns: Iterator to the first particle.

Implements autopas::ParticleContainerInterface< ParticleCell::ParticleType >.

◆ computeInteractions()

template<class Particle_T >

void autopas::LinkedCells< Particle_T >::computeInteractions ( TraversalInterface * traversal )

inlineoverridevirtual

Iterates over all particle multiples (e.g.

pairs, triplets) in the container using the given traversal.

Parameters

traversal The traversal to use for the iteration.

Implements autopas::ParticleContainerInterface< ParticleCell::ParticleType >.

◆ deleteHaloParticles()

template<class Particle_T >

void autopas::LinkedCells< Particle_T >::deleteHaloParticles ( )

inlineoverridevirtual

Deletes all halo particles.

Implements autopas::ParticleContainerInterface< ParticleCell::ParticleType >.

◆ deleteParticle() [1/2]

template<class Particle_T >

bool autopas::LinkedCells< Particle_T >::deleteParticle ( Particle_T & particle )

inlineoverridevirtual

Deletes the given particle as long as this does not compromise the validity of the container.

If this is not possible the particle is just marked as deleted.

Note: This function might be implemented via swap-delete and is thus not completely thread safe.

Parameters

particle Reference to the particle that is to be deleted.

Returns: True if the given pointer still points to a new particle.

Implements autopas::ParticleContainerInterface< ParticleCell::ParticleType >.

◆ deleteParticle() [2/2]

template<class Particle_T >

bool autopas::LinkedCells< Particle_T >::deleteParticle	(	size_t	cellIndex,
		size_t	particleIndex
	)

inlineoverridevirtual

Deletes the particle at the given index positions as long as this does not compromise the validity of the container.

If this is not possible the particle is just marked as deleted. If the positions do not exist the behavior is undefined.

Parameters

cellIndex
particleIndex

Returns: True if the given indices still point to a new particle.

Implements autopas::ParticleContainerInterface< ParticleCell::ParticleType >.

◆ forEach()

template<class Particle_T >

template<typename Lambda >

void autopas::LinkedCells< Particle_T >::forEach	(	Lambda	forEachLambda,
		IteratorBehavior	behavior = `IteratorBehavior::ownedOrHalo`
	)

inline

Execute code on all particles in this container as defined by a lambda function.

Template Parameters

Lambda (Particle_T &p) -> void

Parameters

forEachLambda	code to be executed on all particles
behavior

See also: IteratorBehavior

◆ forEachInRegion()

template<class Particle_T >

template<typename Lambda >

void autopas::LinkedCells< Particle_T >::forEachInRegion	(	Lambda	forEachLambda,
		const std::array< double, 3 > &	lowerCorner,
		const std::array< double, 3 > &	higherCorner,
		IteratorBehavior	behavior
	)

inline

Execute code on all particles in this container in a certain region as defined by a lambda function.

Template Parameters

Lambda (Particle_T &p) -> void

Parameters

forEachLambda	code to be executed on all particles
lowerCorner	lower corner of bounding box
higherCorner	higher corner of bounding box
behavior

See also: IteratorBehavior

◆ getCellBlock() [1/2]

template<class Particle_T >

internal::CellBlock3D< ParticleCell > & autopas::LinkedCells< Particle_T >::getCellBlock ( )

inline

Get the cell block, not supposed to be used except by verlet lists.

Returns: the cell block

◆ getCellBlock() [2/2]

template<class Particle_T >

const internal::CellBlock3D< ParticleCell > & autopas::LinkedCells< Particle_T >::getCellBlock ( ) const

inline

Get the cell block, not supposed to be used except by verlet lists.

Returns: the cell block

Note: const version

◆ getCells()

template<class Particle_T >

std::vector< ParticleCell > & autopas::LinkedCells< Particle_T >::getCells ( )

inline

Returns a non-const reference to the cell data structure.

Returns: Non-const reference.

◆ getContainerType()

template<class Particle_T >

ContainerOption autopas::LinkedCells< Particle_T >::getContainerType ( ) const

inlineoverridevirtual

Get the ContainerType.

Returns: ContainerOption of the type of this container.

Implements autopas::ParticleContainerInterface< ParticleCell::ParticleType >.

◆ getLoadEstimatorFunction()

template<class Particle_T >

BalancedTraversal::EstimatorFunction autopas::LinkedCells< Particle_T >::getLoadEstimatorFunction ( )

inline

Generates the load estimation function depending on _loadEstimator.

Returns: load estimator function object.

◆ getParticle() [1/2]

template<class Particle_T >

std::tuple< const Particle_T *, size_t, size_t > autopas::LinkedCells< Particle_T >::getParticle	(	size_t	cellIndex,
		size_t	particleIndex,
		IteratorBehavior	iteratorBehavior
	)		const

inlineoverridevirtual

Fetch the pointer to a particle, identified via a cell and particle index.

These indices are only meaningful in the context of the current container at its current state. The same indices might (and probably will) yield different particles for different container types or might not even exist. The only guarantee is that the indices {0,0} yield the first particle in the container that satisfies the iterator requirements.

Note: This function should handle any offsets if used in a parallel iterator.

Parameters

cellIndex	Index of the cell the particle is located in.
particleIndex	Particle index within the cell.
iteratorBehavior	Which ownership states should be considered for the next particle.

Returns: Pointer to the particle and its indices. tuple<Particle_T*, cellIndex, particleIndex> If a index pair is given that does not exist but is also not beyond the last cell, the next fitting particle shall be returned. Example: If [4,2] does not exist, [5,1] shall be returned (or whatever is the next particle that fulfills the iterator requirements). If there is no next fitting particle {nullptr, 0, 0} is returned.

Implements autopas::ParticleContainerInterface< ParticleCell::ParticleType >.

◆ getParticle() [2/2]

template<class Particle_T >

std::tuple< const Particle_T *, size_t, size_t > autopas::LinkedCells< Particle_T >::getParticle	(	size_t	cellIndex,
		size_t	particleIndex,
		IteratorBehavior	iteratorBehavior,
		const std::array< double, 3 > &	boxMin,
		const std::array< double, 3 > &	boxMax
	)		const

inlineoverridevirtual

Fetch the pointer to a particle, identified via a cell and particle index.

These indices are only meaningful in the context of the current container at its current state. The same indices might (and probably will) yield different particles for different container types or might not even exist. The only guarantee is that the indices {0,0} yield the first particle in the container that satisfies the iterator requirements.

Note: This function should handle any offsets if used in a parallel iterator.

Parameters

cellIndex	Index of the cell the particle is located in.
particleIndex	Particle index within the cell.
iteratorBehavior	Which ownership states should be considered for the next particle.

Returns: Pointer to the particle and its indices. tuple<Particle_T*, cellIndex, particleIndex> If a index pair is given that does not exist but is also not beyond the last cell, the next fitting particle shall be returned. Example: If [4,2] does not exist, [5,1] shall be returned (or whatever is the next particle that fulfills the iterator requirements). If there is no next fitting particle {nullptr, 0, 0} is returned.

Parameters

boxMin	start of region in which the next particle should be. The coordinates are expected to be within the domain.
boxMax	end of region in which the next particle should be. The coordinates are expected to be within the domain.

Implements autopas::ParticleContainerInterface< ParticleCell::ParticleType >.

◆ getParticleCellTypeEnum()

template<class Particle_T >

CellType autopas::LinkedCells< Particle_T >::getParticleCellTypeEnum ( ) const

inlineoverridevirtual

Get the ParticleCell type as an Enum.

Returns: The Cell type as an Enum

Implements autopas::ParticleContainerInterface< ParticleCell::ParticleType >.

◆ getParticleImpl()

template<class Particle_T >

template<bool regionIter>

std::tuple< const Particle_T *, size_t, size_t > autopas::LinkedCells< Particle_T >::getParticleImpl	(	size_t	cellIndex,
		size_t	particleIndex,
		IteratorBehavior	iteratorBehavior,
		const std::array< double, 3 > &	boxMin,
		const std::array< double, 3 > &	boxMax
	)		const

inline

Container specific implementation for getParticle.

See ParticleContainerInterface::getParticle().

Template Parameters

regionIter

Parameters

cellIndex
particleIndex
iteratorBehavior
boxMin
boxMax

Returns: tuple<ParticlePointer, CellIndex, ParticleIndex>

◆ getRegionIterator() [1/2]

template<class Particle_T >

ContainerIterator< ParticleType, false, true > autopas::LinkedCells< Particle_T >::getRegionIterator	(	const std::array< double, 3 > &	lowerCorner,
		const std::array< double, 3 > &	higherCorner,
		IteratorBehavior	behavior,
		typename ContainerIterator< ParticleType, false, true >::ParticleVecType *	additionalVectors = `nullptr`
	)		const

inlineoverridevirtual

Iterate over all particles in a specified region for(auto iter = container.getRegionIterator(lowCorner, highCorner);iter.isValid();++iter) .

Parameters

lowerCorner	Lower corner of the region
higherCorner	Higher corner of the region
behavior	The behavior of the iterator (shall it iterate over halo particles as well?).
additionalVectors	Vectors that should be included besides the container.

Returns: Iterator to iterate over all particles in a specific region.

Note: const version

Implements autopas::ParticleContainerInterface< ParticleCell::ParticleType >.

◆ getRegionIterator() [2/2]

template<class Particle_T >

ContainerIterator< ParticleType, true, true > autopas::LinkedCells< Particle_T >::getRegionIterator	(	const std::array< double, 3 > &	lowerCorner,
		const std::array< double, 3 > &	higherCorner,
		IteratorBehavior	behavior,
		typename ContainerIterator< ParticleType, true, true >::ParticleVecType *	additionalVectors = `nullptr`
	)

inlineoverridevirtual

Iterate over all particles in a specified region for(auto iter = container.getRegionIterator(lowCorner, highCorner);iter.isValid();++iter) .

Parameters

lowerCorner	Lower corner of the region
higherCorner	Higher corner of the region
behavior	The behavior of the iterator (shall it iterate over halo particles as well?).
additionalVectors	Vectors that should be included besides the container.

Returns: Iterator to iterate over all particles in a specific region.

Implements autopas::ParticleContainerInterface< ParticleCell::ParticleType >.

◆ getTraversalSelectorInfo()

template<class Particle_T >

TraversalSelectorInfo autopas::LinkedCells< Particle_T >::getTraversalSelectorInfo ( ) const

inlineoverridevirtual

Generates a traversal selector info for this container.

Returns: Traversal selector info for this container.

Implements autopas::ParticleContainerInterface< ParticleCell::ParticleType >.

◆ prepareTraversal()

template<class Particle_T >

template<typename Traversal >

void autopas::LinkedCells< Particle_T >::prepareTraversal ( Traversal & traversal )

inlineprotected

Checks if a given traversal is allowed for LinkedCells and sets it up for the force interactions.

Template Parameters

Traversal Traversal type. E.g. pairwise, triwise

Parameters

traversal

◆ rebuildNeighborLists()

template<class Particle_T >

void autopas::LinkedCells< Particle_T >::rebuildNeighborLists ( TraversalInterface * traversal )

inlineoverridevirtual

Rebuilds the neighbor lists for the next traversals.

Parameters

traversal The used traversal.

Implements autopas::ParticleContainerInterface< ParticleCell::ParticleType >.

◆ reduce()

template<class Particle_T >

template<typename Lambda , typename A >

void autopas::LinkedCells< Particle_T >::reduce	(	Lambda	reduceLambda,
		A &	result,
		IteratorBehavior	behavior = `IteratorBehavior::ownedOrHalo`
	)

inline

Reduce properties of particles as defined by a lambda function.

Template Parameters

Lambda	(Particle_T p, A initialValue) -> void
A	type of particle attribute to be reduced

Parameters

reduceLambda	code to reduce properties of particles
result	reference to result of type A
behavior

See also: IteratorBehavior default:; IteratorBehavior::ownedOrHalo

◆ reduceInRegion()

template<class Particle_T >

template<typename Lambda , typename A >

void autopas::LinkedCells< Particle_T >::reduceInRegion	(	Lambda	reduceLambda,
		A &	result,
		const std::array< double, 3 > &	lowerCorner,
		const std::array< double, 3 > &	higherCorner,
		IteratorBehavior	behavior
	)

inline

Execute code on all particles in this container in a certain region as defined by a lambda function.

Template Parameters

Lambda	(Particle_T &p, A &result) -> void
A	type of reduction Value

Parameters

reduceLambda	code to be executed on all particles
result	reference to starting and final value for reduction
lowerCorner	lower corner of bounding box
higherCorner	higher corner of bounding box
behavior

See also: IteratorBehavior

◆ reserve()

template<class Particle_T >

void autopas::LinkedCells< Particle_T >::reserve	(	size_t	numParticles,
		size_t	numParticlesHaloEstimate
	)

inlineoverridevirtual

Reserve memory for a given number of particles in the container and logic layers.

This function assumes a uniform distribution of particles throughout the domain. For example, this means that in a LinkedCells Container in each cell vector.reserve(numParticles/numCells) is called.

Note: This functions will create an estimate for the number of halo particles.

Parameters

numParticles	No buffer factor is applied. It is probably wise to slightly over-reserve to account for imbalance or particle movement.
numParticlesHaloEstimate	Estimate for the number of halo particles. Reserves space in the container data structure.

Implements autopas::ParticleContainerInterface< ParticleCell::ParticleType >.

◆ updateContainer()

template<class Particle_T >

std::vector< ParticleType > autopas::LinkedCells< Particle_T >::updateContainer ( bool keepNeighborListsValid )

inlineoverridevirtual

Updates the container.

This deletes halo particles, resorts particles into appropriate cells and might remove particles from the container, if necessary.

Parameters

keepNeighborListsValid Defines whether the neighbor lists have to be kept valid.

Returns: A vector of invalid particles that do not belong into the container.

Implements autopas::ParticleContainerInterface< ParticleCell::ParticleType >.

◆ updateHaloParticle()

template<class Particle_T >

bool autopas::LinkedCells< Particle_T >::updateHaloParticle ( const ParticleType & haloParticle )

inlineoverridevirtual

Update a halo particle of the container with the given haloParticle.

Parameters

haloParticle Particle to be updated.

Returns: Returns true if the particle was updated, false if no particle could be found.

Implements autopas::ParticleContainerInterface< ParticleCell::ParticleType >.

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

autopas/containers/linkedCells/LinkedCells.h

Public Types

Public Member Functions

Protected Member Functions

Protected Attributes

Detailed Description

Constructor & Destructor Documentation

◆ LinkedCells()

Member Function Documentation

◆ addHaloParticleImpl()

◆ addParticleImpl()

◆ advanceIteratorIndices()

◆ begin() [1/2]

◆ begin() [2/2]

◆ computeInteractions()

◆ deleteHaloParticles()

◆ deleteParticle() [1/2]

◆ deleteParticle() [2/2]

◆ forEach()

◆ forEachInRegion()

◆ getCellBlock() [1/2]

◆ getCellBlock() [2/2]

◆ getCells()

◆ getContainerType()

◆ getLoadEstimatorFunction()

◆ getParticle() [1/2]

◆ getParticle() [2/2]

◆ getParticleCellTypeEnum()

◆ getParticleImpl()

◆ getRegionIterator() [1/2]

◆ getRegionIterator() [2/2]

◆ getTraversalSelectorInfo()

◆ prepareTraversal()

◆ rebuildNeighborLists()

◆ reduce()

◆ reduceInRegion()

◆ reserve()

◆ updateContainer()

◆ updateHaloParticle()