VCP1CLJRMM Class Reference

Inheritance diagram for VCP1CLJRMM:

Public Member Functions
	VCP1CLJRMM (Domain &domain, double cutoffRadius, double LJcutoffRadius)
void	initTraversal ()
	Reset macroscopic values to 0.0. More...
void	preprocessCell (ParticleCell &)
	Load the CellDataSoA for cell. More...
void	processCellPair (ParticleCell &cell1, ParticleCell &cell2, bool sumAll=false)
double	processSingleMolecule (Molecule *, ParticleCell &)
void	processCell (ParticleCell &cell)
	Calculate forces between pairs of Molecules in cell. More...
void	postprocessCell (ParticleCell &)
	Free the LennardJonesSoA for cell. More...
void	endTraversal ()
	Store macroscopic values in the Domain. More...
void	setDtInvm (double dtInvm)
double	getDtInvm () const
template<class ForcePolicy , bool CalculateMacroscopic, class MaskGatherChooser >
void	_calculatePairs (CellDataSoARMM &soa1, CellDataSoARMM &soa2)
Public Member Functions inherited from CellProcessor
	CellProcessor (const double cutoffRadius, const double LJCutoffRadius)
virtual	~CellProcessor ()
double	getCutoffRadius () const
double	getLJCutoffRadius () const
void	setCutoffRadius (const double c)
void	setLJCutoffRadius (const double ljc)
double	getCutoffRadiusSquare () const
double	getLJCutoffRadiusSquare () const
void	setCutoffRadiusSquare (const double c)
void	setLJCutoffRadiusSquare (const double ljc)

Additional Inherited Members
Protected Attributes inherited from CellProcessor
double	_cutoffRadiusSquare
double	_LJCutoffRadiusSquare

Member Function Documentation

endTraversal()

void VCP1CLJRMM::endTraversal ( )

virtual

Store macroscopic values in the Domain.

Implements CellProcessor.

initTraversal()

void VCP1CLJRMM::initTraversal ( )

virtual

Reset macroscopic values to 0.0.

Implements CellProcessor.

postprocessCell()

void VCP1CLJRMM::postprocessCell ( ParticleCell &  )

inlinevirtual

Free the LennardJonesSoA for cell.

Implements CellProcessor.

preprocessCell()

void VCP1CLJRMM::preprocessCell ( ParticleCell &  )

inlinevirtual

Load the CellDataSoA for cell.

Implements CellProcessor.

processCell()

void VCP1CLJRMM::processCell ( ParticleCell &  cell )

virtual

Calculate forces between pairs of Molecules in cell.

Implements CellProcessor.

processCellPair()

void VCP1CLJRMM::processCellPair ( ParticleCell &  cell1, ParticleCell &  cell2, bool  sumAll = false  )

virtual

Called for each cell pair within the cutoff radius. Called exactly once per pair (i.e. pairs are not ordered).

Note

will not be called for empty cells. Sum up all macroscopic values (e.g. for hs) or only half of them (e.g. for fs)

Implements CellProcessor.

processSingleMolecule()

double VCP1CLJRMM::processSingleMolecule ( Molecule *  , ParticleCell &    )

inlinevirtual

Implements CellProcessor.

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

• src/particleContainer/adapter/VCP1CLJRMM.h
• src/particleContainer/adapter/VCP1CLJRMM.cpp