Domain decomposition as pointer to linked particles. More...

#include <Cubo.h>

Inheritance diagram for DdLinkedList:

Public Member Functions
	DdLinkedList (double Edge[3], int NPart, double CutOff)
	Allocate.
void	Erase ()
	Erase the pairlist.
void	Clear ()
	Clear the pairlist.
int	SwapPart (int p1, double Pos1, int p2, double Pos2)
	Swap two particles.
void	AddPart (const int p, double *Pos)
	Add a particle to the cell c.
void	RemPart (const int p, double *Pos)
	Remove a particle form the cell c.
void	RemPart (const int p)
	Remove the particle p.
void	AddPart (const int p, const int c)
	Add a particle to the cell c.
void	RemPart (const int p, const int c)
	Remove a particle form the cell c.
void	MovePart (const int p, double OldPos, double NewPos)
	Move a particle form the cell c1 to the cell c2.
void	MovePart (const int p, double *NewPos)
	Move a particle form the cell c1 to the cell c2.
int	PosRet (const double Pos[3])
	Relative position in the cell.
int	pNPart (const int c)
	# part in the cell
int	pNPart ()
	# part in the class
int	pCell (const int p)
	Print the cell which the particle belong.
int	First (const int c)
	First part in the cell.
int	Next (const int p)
	Next linked part.
int	ItCell (const int c)
	Iterate in the cell.
int	IfItCell (const int c)
	Stop the loop and set the counter to zero.
int	IfItCouple (const int c)
	Stop the loop and set the counter to zero.
int	SetCoorNumb (double *Pos, int p)
	Set the coordination umber to the part p.
int	GetNei (double Pos, int NeiList)
	Choose among the different neighbouring lists.
void	SetCounters (int c)
	Set the counters to the initial position.
void	Couple (const int c, int p1, int p2)
	Iterates along all couples.
void	PrintCell (const int c)
	Print the particles in a cell.
void	PrintCells ()
	Print the the particles in the cells.
void	SetCurr (int p)
	Gather information of the neighbouring cells.
void	SetCurrGhost (double *Pos)
	Gather information of the neighbouring cells.
void	NextCurr ()
	Increase the iterator to the next couple.
void	NextCurrGhost ()
	Increase the iterator to the next couple.
int	IfCurr ()
	Tell when the curr loop is over.
int	IfCurrGhost ()
	Tell when the curr loop is over.
void	Dist2Curr (double *DistRel)
	Retrun the squared current interparticle distance.
void	Dist2CurrGhost (double *DistRel)
	Retrun the squared current interparticle distance.
void	PrintList (const int c)
	Print the the particle list in the cells.
void	PrintLists ()
	Print the the particle list in the cells.
void	CheckList ()
	Check the list.
void	CheckNei (int p)
	Check the neighbours.
void	IncrCurr (const int c)
	Increment the current part in the cell.
void	IncrCurrList (const int c)
	Increment the current iterators in the cell.
int	FindClosest (int p1)
	Find the closest neighbour.
Public Attributes
DomCell *	Cella
	Number of particles and iterators per cell.
DOMAIN_PART *	Pc
	List of position of the particles.

Detailed Description

Domain decomposition as pointer to linked particles.

Definition at line 162 of file Cubo.h.

Constructor & Destructor Documentation

DdLinkedList	(	double	Edge[3],
		int	NPart,
		double	CutOff
	)

Allocate.

Constructor for the domain decomposition with the linked list.

Definition at line 232 of file Cubo.cpp.

References Cella, DomDecBasics::Edge, DomCell::First, DomDecBasics::InvEdge, DomCell::Last, DomDecBasics::Mod10, DomDecBasics::NAllocP, DomDecBasics::NCell, DomDecBasics::NPart, DomCell::NPart, DomDecBasics::NSect, Pc, DomDecBasics::SetCutOff(), and DomDecBasics::SigErr().

Member Function Documentation

void Erase ( )

Erase the pairlist.

Empty the records of the cells.

Definition at line 258 of file Cubo.cpp.

References DOMAIN_PART::Cell, Cella, DomCell::Last, DomDecBasics::NCell, DOMAIN_PART::Next, DomDecBasics::NPart, DomCell::NPart, Pc, and DOMAIN_PART::Prev.

Referenced by Forces::Dynamics(), Forces::MinimalNrg(), and Forces::ReOpen().

void AddPart	(	const int	p,
		double *	Pos
	)

Add a particle to the cell c.

Add a part to the correspondent cell.

Definition at line 276 of file Cubo.cpp.

References Pc, DomDecBasics::pCella(), and SetCoorNumb().

Referenced by Forces::AllocMethod(), VarData::ConnectLineChain(), VarData::ConnectLineChain3(), Forces::ConsiderCh(), Forces::Dynamics(), VarData::FindNeighbours(), Forces::InsertBead(), Forces::InsertChBias(), Forces::MinimalNrg(), MovePart(), Forces::RemoveChBias(), and Forces::ReOpen().

void RemPart	(	const int	p,
		double *	Pos
	)

Remove a particle form the cell c.

Remove particle from the cell.

Definition at line 307 of file Cubo.cpp.

References DomDecBasics::pCella().

Referenced by Forces::IgnoreCh(), MovePart(), Forces::RemChFromSys(), Forces::RemoveChBias(), RemPart(), Forces::TryInsert(), Forces::TryRemove(), and Forces::WidomInsert().

void RemPart ( const int p )

Remove the particle p.

Remove a part to the correspondent cell.

Definition at line 336 of file Cubo.cpp.

References DOMAIN_PART::Cell, Pc, RemPart(), and DomDecBasics::SigErr().

void AddPart	(	const int	p,
		const int	c
	)

Add a particle to the cell c.

Add a part to the correspondent cell.

Definition at line 285 of file Cubo.cpp.

References DOMAIN_PART::Cell, Cella, DomCell::First, DomCell::Last, DomDecBasics::NAllocP, DOMAIN_PART::Next, DomDecBasics::NPart, DomCell::NPart, Pc, DOMAIN_PART::Prev, and DomDecBasics::SigErr().

void RemPart	(	const int	p,
		const int	c
	)

Remove a particle form the cell c.

Remove a part to the correspondent cell.

Definition at line 312 of file Cubo.cpp.

References DOMAIN_PART::Cell, Cella, DomCell::First, DomCell::Last, DomDecBasics::NAllocP, DOMAIN_PART::Next, DomDecBasics::NPart, DomCell::NPart, Pc, DOMAIN_PART::Prev, and DomDecBasics::SigErr().

void MovePart	(	const int	p,
		double *	OldPos,
		double *	NewPos
	)

Move a particle form the cell c1 to the cell c2.

Shift a particle from one position to its new.

Definition at line 403 of file Cubo.cpp.

References AddPart(), Pc, DomDecBasics::pCella(), RemPart(), and SetCoorNumb().

Referenced by Forces::TryMove().

void MovePart	(	const int	p,
		double *	NewPos
	)

Move a particle form the cell c1 to the cell c2.

Shift a particle from one position to its new.

Definition at line 393 of file Cubo.cpp.

References AddPart(), Pc, pCell(), DomDecBasics::pCella(), RemPart(), and SetCoorNumb().

int IfItCell ( const int c )

Stop the loop and set the counter to zero.

Return 0 when the loop inside the cell is over.

Definition at line 427 of file Cubo.cpp.

References Cella, DomCell::Curr1, DomCell::First, and DomDecBasics::NPart.

Referenced by VarData::FindNeighbours(), and PrintCell().

int IfItCouple ( const int c )

Stop the loop and set the counter to zero.

Return zero when both iterators are over the loop.

Definition at line 572 of file Cubo.cpp.

References Cella, DomCell::Curr1, DomCell::Curr2, DomCell::First, DOMAIN_PART::Next, DomDecBasics::NPart, and Pc.

int SetCoorNumb	(	double *	Pos,
		int	p
	)

Set the coordination umber to the part p.

Coordination number of the particle in the cell.

Definition at line 271 of file Cubo.cpp.

References DOMAIN_PART::Coord, DomDecBasics::GetCoorNumb(), and Pc.

Referenced by AddPart(), and MovePart().

void SetCounters ( int c )

Set the counters to the initial position.

Set the counters to the first particle of the cell c1 for the first loop.

Definition at line 413 of file Cubo.cpp.

References Cella, DomCell::Curr1, DomCell::Curr2, DomCell::First, DomDecBasics::NCell, DOMAIN_PART::Next, DomDecBasics::NPart, and Pc.

Referenced by VarData::FindNeighbours(), and PrintCell().

void Couple	(	const int	c,
		int *	p1,
		int *	p2
	)

Iterates along all couples.

Associate the two iterator of the cell to the particles p1 and p2.

Definition at line 565 of file Cubo.cpp.

References Cella, DomCell::Curr1, DomCell::Curr2, DomDecBasics::NAllocP, and DomDecBasics::SigErr().

void PrintCell ( const int c )

Print the particles in a cell.

Print the content of the cell.

Reimplemented from DomDecBasics.

Definition at line 439 of file Cubo.cpp.

References Cella, IfItCell(), IncrCurr(), ItCell(), Next(), DomDecBasics::NPart, Pc, and SetCounters().

Referenced by PrintCells().

void PrintCells ( )

Print the the particles in the cells.

Print the content of all cells.

Reimplemented from DomDecBasics.

Definition at line 446 of file Cubo.cpp.

References DomDecBasics::NCell, and PrintCell().

void SetCurr ( int p )

Gather information of the neighbouring cells.

Set the iterators for the current particle and build the list of neighbouring cells.

Definition at line 453 of file Cubo.cpp.

References DomDecBasics::cCurr, DOMAIN_PART::Cell, Cella, DomCell::Curr1, DomCell::Curr2, DomCell::First, GetNei(), DomDecBasics::IfLoopCurr, DomDecBasics::NeiListCurr, DOMAIN_PART::Next, DomDecBasics::NNeiCurr, DomDecBasics::nNeiCurr, DomDecBasics::p1Curr, DomDecBasics::p2Curr, Pc, and DomDecBasics::SigErr().

Referenced by Forces::AddDens(), Forces::CalcForcesDensFunc(), Forces::CalcPairwise(), Forces::CalcPairwiseCh(), Forces::CalcTens(), Forces::CheckDomDec(), Forces::CheckPairList(), VarData::ConnectLineChain(), VarData::ConnectLineChain3(), Forces::DensFuncNrgChInternal(), Forces::DensFuncNrgGhostInternal(), FindClosest(), Forces::MinimalNrg(), Forces::NrgStep(), Forces::NrgStepCh(), Forces::RemDens(), and Forces::SumForcesMD().

int IfCurr ( )

Tell when the curr loop is over.

Set the iterators for the current ghost particle and build the list of neighbouring cells.

Definition at line 498 of file Cubo.cpp.

References DomDecBasics::IfLoopCurr.

Referenced by Forces::AddDens(), Forces::CalcForcesDensFunc(), Forces::CalcPairwise(), Forces::CalcPairwiseCh(), Forces::CalcTens(), Forces::CheckDomDec(), Forces::CheckPairList(), VarData::ConnectLineChain(), VarData::ConnectLineChain3(), Forces::DensFuncNrgChInternal(), Forces::DensFuncNrgGhostInternal(), FindClosest(), Forces::MinimalNrg(), Forces::NrgStep(), Forces::NrgStepCh(), Forces::RemDens(), and Forces::SumForcesMD().

void Dist2Curr ( double * DistRel )

Retrun the squared current interparticle distance.

Iterate one step and return the position.

Definition at line 502 of file Cubo.cpp.

References DomDecBasics::Edge, DomDecBasics::InvEdge, DomDecBasics::p1Curr, DomDecBasics::p2Curr, Pc, and DOMAIN_PART::Pos.

Referenced by Forces::AddDens(), Forces::CalcForcesDensFunc(), Forces::CalcPairwise(), Forces::CalcPairwiseCh(), Forces::CalcTens(), Forces::CheckDomDec(), Forces::CheckPairList(), VarData::ConnectLineChain3(), Forces::DensFuncNrgChInternal(), Forces::DensFuncNrgGhostInternal(), FindClosest(), Forces::MinimalNrg(), Forces::NrgStep(), Forces::NrgStepCh(), Forces::RemDens(), and Forces::SumForcesMD().

void Dist2CurrGhost ( double * DistRel )

Retrun the squared current interparticle distance.

Iterate one step and return the position.

Definition at line 554 of file Cubo.cpp.

References DomDecBasics::Edge, DomDecBasics::InvEdge, DomDecBasics::p2Curr, Pc, DOMAIN_PART::Pos, and DomDecBasics::PosCurr.

Referenced by Forces::DensFuncNrgGhost().

void IncrCurr ( const int c )

Increment the current part in the cell.

Increment the iterator to the next particle.

Definition at line 435 of file Cubo.cpp.

References Cella, DomCell::Curr1, DOMAIN_PART::Next, and Pc.

Referenced by VarData::FindNeighbours(), and PrintCell().

void IncrCurrList ( const int c )

Increment the current iterators in the cell.

Increment the second iterator and the first when the second is over the loop.

Definition at line 582 of file Cubo.cpp.

References Cella, DomCell::Curr1, DomCell::Curr2, DomDecBasics::NAllocP, DOMAIN_PART::Next, Next(), Pc, and DomDecBasics::SigErr().

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

include/Cubo.h
src/VarData/Cubo.cpp
src/VarData/Cubo.mirror.cpp

Public Member Functions

Public Attributes

Detailed Description

Constructor & Destructor Documentation

Member Function Documentation