This class provides the c04 hcp traversal. More...

#include <LCC04HCPTraversal.h>

Inheritance diagram for autopas::LCC04HCPTraversal< ParticleCell, PairwiseFunctor >:

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Collaboration diagram for autopas::LCC04HCPTraversal< ParticleCell, PairwiseFunctor >:

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Public Member Functions
	LCC04HCPTraversal (const std::array< unsigned long, 3 > &dims, PairwiseFunctor *pairwiseFunctor, const double interactionLength, const std::array< double, 3 > &cellLength, DataLayoutOption dataLayout, bool useNewton3)
	Constructor of c04hcp.

void	traverseParticles () override
	Traverse the particles by pairs, triplets etc.

TraversalOption	getTraversalType () const override
	Return a enum representing the name of the traversal class.

bool	isApplicable () const override
	Checks if the traversal is applicable to the current state of the domain.

void	setSortingThreshold (size_t sortingThreshold) override
	Set the sorting-threshold for traversals that use the CellFunctor If the sum of the number of particles in two cells is greater or equal to that value, the CellFunctor creates a sorted view of the particles to avoid unnecessary distance checks.

Public Member Functions inherited from autopas::C08BasedTraversal< ParticleCell, PairwiseFunctor >
	C08BasedTraversal (const std::array< unsigned long, 3 > &dims, PairwiseFunctor *functor, const double interactionLength, const std::array< double, 3 > &cellLength, DataLayoutOption dataLayout, bool useNewton3)
	Constructor of the c08 traversal.

Public Member Functions inherited from autopas::ColorBasedTraversal< ParticleCell, Functor, collapseDepth >
void	initTraversal () override
	load Data Layouts required for this Traversal if cells have been set through setCellsToTraverse().

void	endTraversal () override
	write Data to AoS if cells have been set through setCellsToTraverse().

Public Member Functions inherited from autopas::CellTraversal< ParticleCell >
	CellTraversal (const std::array< unsigned long, 3 > &dims)
	Constructor of CellTraversal.

virtual	~CellTraversal ()=default
	Destructor of CellTraversal.

virtual void	setCellsToTraverse (std::vector< ParticleCell > &cells)
	Sets the cells to iterate over.

virtual void	setSortingThreshold (size_t sortingThreshold)=0
	Set the sorting-threshold for traversals that use the CellFunctor If the sum of the number of particles in two cells is greater or equal to that value, the CellFunctor creates a sorted view of the particles to avoid unnecessary distance checks.

Public Member Functions inherited from autopas::TraversalInterface
virtual	~TraversalInterface ()=default
	Destructor of TraversalInterface.

	TraversalInterface (DataLayoutOption dataLayout, bool useNewton3)
	Constructor of the TraversalInterface.

virtual TraversalOption	getTraversalType () const =0
	Return a enum representing the name of the traversal class.

virtual bool	isApplicable () const =0
	Checks if the traversal is applicable to the current state of the domain.

virtual void	initTraversal ()=0
	Initializes the traversal.

virtual void	traverseParticles ()=0
	Traverse the particles by pairs, triplets etc.

virtual void	endTraversal ()=0
	Finalizes the traversal.

bool	getUseNewton3 () const
	Return whether the traversal uses newton 3.

DataLayoutOption	getDataLayout () const
	Return the data layout option.

Additional Inherited Members
Protected Member Functions inherited from autopas::C08BasedTraversal< ParticleCell, PairwiseFunctor >
void	c08Traversal (LoopBody &&loopBody)
	The main traversal of the C08Traversal.

Protected Member Functions inherited from autopas::ColorBasedTraversal< ParticleCell, Functor, collapseDepth >
	ColorBasedTraversal (const std::array< unsigned long, 3 > &dims, Functor *functor, const double interactionLength, const std::array< double, 3 > &cellLength, DataLayoutOption dataLayout, bool useNewton3)
	Constructor of the ColorBasedTraversal.

	~ColorBasedTraversal () override=default
	Destructor of ColorBasedTraversal.

template<typename LoopBody >
void	colorTraversal (LoopBody &&loopBody, const std::array< unsigned long, 3 > &end, const std::array< unsigned long, 3 > &stride, const std::array< unsigned long, 3 > &offset={0ul, 0ul, 0ul})
	The main traversal of the ColorBasedTraversal.

virtual void	notifyColorChange (unsigned long newColor)
	This method is called when the color during the traversal has changed.

Protected Attributes inherited from autopas::ColorBasedTraversal< ParticleCell, Functor, collapseDepth >
const double	_interactionLength
	Interaction length (cutoff + skin).

const std::array< double, 3 >	_cellLength
	cell length in CellBlock3D.

std::array< unsigned long, 3 >	_overlap
	overlap of interacting cells.

Protected Attributes inherited from autopas::CellTraversal< ParticleCell >
std::array< unsigned long, 3 >	_cellsPerDimension
	The dimensions of the cellblock.

std::vector< ParticleCell > *	_cells
	The cells to traverse.

Protected Attributes inherited from autopas::TraversalInterface
DataLayoutOption	_dataLayout
	The datalayout used by this traversal.

bool	_useNewton3
	If this traversal makes use of newton3.

Detailed Description

template<class ParticleCell, class PairwiseFunctor>
class autopas::LCC04HCPTraversal< ParticleCell, PairwiseFunctor >

This class provides the c04 hcp traversal.

The traversal is based on Tchipev, N. Algorithmic and Implementational Optimizations of Molecular Dynamics Simulations for Process Engineering, Chapter 8 Outlook.

The traversal uses the c04 base step performed on every single cell. Since these steps overlap a domain coloring with four colors is applied. It differs from c04 in the shape of the colored blocks. The chosen block-shape for the c08-base-steps in the lc_c04_HCP traversal is a 2x1x3-shape cuboid.

Template Parameters

ParticleCell	the type of cells
PairwiseFunctor	The functor that defines the interaction of two particles.

Constructor & Destructor Documentation

◆ LCC04HCPTraversal()

template<class ParticleCell , class PairwiseFunctor >

autopas::LCC04HCPTraversal< ParticleCell, PairwiseFunctor >::LCC04HCPTraversal	(	const std::array< unsigned long, 3 > &	dims,
		PairwiseFunctor *	pairwiseFunctor,
		const double	interactionLength,
		const std::array< double, 3 > &	cellLength,
		DataLayoutOption	dataLayout,
		bool	useNewton3
	)

inline

Constructor of c04hcp.

Parameters

dims	The dimensions of the cellblock, i.e. the number of cells in x, y and z direction.
pairwiseFunctor	The functor that defines the interaction of two particles.
interactionLength	Interaction length.
cellLength	cell length.
dataLayout	The data layout with which this traversal should be initialized.
useNewton3	Parameter to specify whether the traversal makes use of newton3 or not.

Member Function Documentation

◆ getTraversalType()

template<class ParticleCell , class PairwiseFunctor >

TraversalOption autopas::LCC04HCPTraversal< ParticleCell, PairwiseFunctor >::getTraversalType ( ) const

inlineoverridevirtual

Return a enum representing the name of the traversal class.

Returns: Enum representing traversal.

Implements autopas::TraversalInterface.

◆ isApplicable()

template<class ParticleCell , class PairwiseFunctor >

bool autopas::LCC04HCPTraversal< ParticleCell, PairwiseFunctor >::isApplicable ( ) const

inlineoverridevirtual

Checks if the traversal is applicable to the current state of the domain.

Returns: true iff the traversal can be applied.

Implements autopas::TraversalInterface.

◆ setSortingThreshold()

template<class ParticleCell , class PairwiseFunctor >

void autopas::LCC04HCPTraversal< ParticleCell, PairwiseFunctor >::setSortingThreshold ( size_t sortingThreshold )

inlineoverridevirtual

Set the sorting-threshold for traversals that use the CellFunctor If the sum of the number of particles in two cells is greater or equal to that value, the CellFunctor creates a sorted view of the particles to avoid unnecessary distance checks.

Parameters

sortingThreshold Sum of the number of particles in two cells from which sorting should be enabled

Implements autopas::CellTraversal< ParticleCell >.

◆ traverseParticles()

template<class ParticleCell , class PairwiseFunctor >

void autopas::LCC04HCPTraversal< ParticleCell, PairwiseFunctor >::traverseParticles ( )

overridevirtual

Traverse the particles by pairs, triplets etc.

as determined by the Functor type.

Implements autopas::TraversalInterface.

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

autopas/containers/linkedCells/traversals/LCC04HCPTraversal.h

Public Member Functions

Additional Inherited Members

Detailed Description

Constructor & Destructor Documentation

◆ LCC04HCPTraversal()

Member Function Documentation

◆ getTraversalType()

◆ isApplicable()

◆ setSortingThreshold()

◆ traverseParticles()