"Block" partitioning is the only one implemented now... 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 ( )

Initializez the BoxPartitioner object.

References HARDNESS, xpasc, and apasc.

BoxPartitioner::~BoxPartitioner ( )

real BoxPartitioner::getFactor	(	int	i,
		int	j
	)		const `[inline, private]`

References atomFactors.

Referenced by process().

real BoxPartitioner::getInvDistanceBetweenAtoms	(	int	i,
		int	j
	)		const `[inline, private]`

return distance between given pair of relevant atoms.

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

Referenced by process().

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

Referenced by 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.