BoxPartitioner Class Reference

"Block" partitioning is the only one implemented now... We rename it here to Box partitioner to avoid name space conflicts. More...

Public Member Functions
	BoxPartitioner ()
	Initializez the BoxPartitioner object.
	~BoxPartitioner ()
unsigned	process (unsigned atomNumber, const std::vector< AtomicGrid > &atomGrids, int noOfRelevantAtoms, const unsigned *relevantAtoms, unsigned batchLength, real(*coor)[3], real *w)
	Applies the partitioning factors to the the grid points associated with given atom.

Private Member Functions
void	prepare (const std::vector< AtomicGrid > &atoms, unsigned noOfRelevantAtoms, const unsigned *relevantAtoms, unsigned pointCnt, const real(*gridPoints)[3])
real	getInvDistanceBetweenAtoms (int i, int j) const
	return distance between given pair of relevant atoms.
real	getFactor (int i, int j) const

Private Attributes
const real(*	coor )[3]
real *	rj
long_real *	p_kg
long_real *	vec
real *	invAtomDistances
	a triangular array
real *	atomFactors
	a triangular array
real	xpasc [HARDNESS]
real	apasc
unsigned	maxPointCnt
unsigned	maxAtomPointCnt
unsigned	maxRelevantAtoms
int	LDA

Static Private Attributes
static const int	HARDNESS = 11

Detailed Description

"Block" partitioning is the only one implemented now... We rename it here to Box partitioner to avoid name space conflicts.

Constructor & Destructor Documentation

BoxPartitioner()

BoxPartitioner::BoxPartitioner

(

)

Initializez the BoxPartitioner object.

References apasc, atomFactors, coor, HARDNESS, invAtomDistances, maxAtomPointCnt, maxPointCnt, maxRelevantAtoms, p_kg, rj, vec, and xpasc.

~BoxPartitioner()

BoxPartitioner::~BoxPartitioner

(

)

References atomFactors, invAtomDistances, p_kg, rj, and vec.

Member Function Documentation

getFactor()

real BoxPartitioner::getFactor ( int i, int j ) const

inlineprivate

References atomFactors.

Referenced by process().

getInvDistanceBetweenAtoms()

real BoxPartitioner::getInvDistanceBetweenAtoms ( int i, int j ) const

inlineprivate

return distance between given pair of relevant atoms.

Arguments i and j specify the number of the atoms on the list of relevant atoms.

References invAtomDistances.

Referenced by process().

prepare()

void BoxPartitioner::prepare ( const std::vector< AtomicGrid > & atoms, unsigned noOfRelevantAtoms, const unsigned * relevantAtoms, unsigned pointCnt, const real(*) gridPoints[3] )

private

References atomFactors, BraggRadii, BraggSize, charge, coor, invAtomDistances, LDA, maxAtomPointCnt, maxPointCnt, maxRelevantAtoms, p_kg, rj, template_blas_sqrt(), and vec.

Referenced by process().

process()

unsigned BoxPartitioner::process	(	unsigned	atomNumber,
		const std::vector< AtomicGrid > &	atomGrids,
		int	noOfRelevantAtoms,
		const unsigned *	relevantAtoms,
		unsigned	batchLength,
		real(*)	coor[3],
		real *	w )

Applies the partitioning factors to the the grid points associated with given atom.

Parameters

atomNumber	index of the atom that the grid points are associated with, in the relevantAtoms array.
atomGrids	the list of all atom grids.
noOfRelevantAtoms	the number of atoms relevant for the box being processed. They need to be taken into account when computing the partitioning weights.
relevantAtoms	the indices of the relevant atoms in the atomGrids vector.
batchLength	number of the grid points the partitioning weights have to be computed for.
coor	their cartesian coordinates. Will be modified if the grid point compression occurs.
w	Their weights - they will be modified.

Returns

new batch length after compression.

References apasc, coor, getFactor(), getInvDistanceBetweenAtoms(), HARDNESS, LDA, p_kg, prepare(), rj, vec, WEIGHT_THRESHOLD, and xpasc.

Referenced by Stream::saveAtomGridInBox().

Member Data Documentation

apasc

real BoxPartitioner::apasc

private

Referenced by BoxPartitioner(), and process().

atomFactors

real* BoxPartitioner::atomFactors

private

a triangular array

Referenced by BoxPartitioner(), getFactor(), prepare(), and ~BoxPartitioner().

coor

const real(* BoxPartitioner::coor)[3]

private

Referenced by BoxPartitioner(), prepare(), and process().

HARDNESS

const int BoxPartitioner::HARDNESS = 11

staticprivate

Referenced by BoxPartitioner(), and process().

invAtomDistances

real* BoxPartitioner::invAtomDistances

private

a triangular array

Referenced by BoxPartitioner(), getInvDistanceBetweenAtoms(), prepare(), and ~BoxPartitioner().

LDA

int BoxPartitioner::LDA

private

Referenced by prepare(), and process().

maxAtomPointCnt

unsigned BoxPartitioner::maxAtomPointCnt

private

Referenced by BoxPartitioner(), and prepare().

maxPointCnt

unsigned BoxPartitioner::maxPointCnt

private

Referenced by BoxPartitioner(), and prepare().

maxRelevantAtoms

unsigned BoxPartitioner::maxRelevantAtoms

private

Referenced by BoxPartitioner(), and prepare().

p_kg

long_real* BoxPartitioner::p_kg

private

Referenced by BoxPartitioner(), prepare(), process(), and ~BoxPartitioner().

rj

real* BoxPartitioner::rj

private

Referenced by BoxPartitioner(), prepare(), process(), and ~BoxPartitioner().

vec

long_real* BoxPartitioner::vec

private

Referenced by BoxPartitioner(), prepare(), process(), and ~BoxPartitioner().

xpasc

real BoxPartitioner::xpasc[HARDNESS]

private

Referenced by BoxPartitioner(), and process().

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

• source/dft/grid_stream.cc