NeighbourList Class Reference

List of all members.

Public Member Functions
	NeighbourList (const ShellSpecStruct *sis, ergo_real thr)
void	setOverlappingWith (const std::vector< NeighbourList > &list)
std::list< int >::iterator	begin ()
std::list< int >::iterator	end ()
size_t	size () const
Private Attributes
const ShellSpecStruct *	shellInfo
std::list< int >	neighbours
ergo_real	extent
	an approximation for the shell extent.

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Constructor & Destructor Documentation

NeighbourList::NeighbourList	(	const ShellSpecStruct *	sis,
		ergo_real	thr
	)		[inline]

References ShellSpecStruct_::noOfContr, ShellSpecStruct_::coeffList, ShellSpecStruct_::exponentList, and extent.

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Member Function Documentation

std::list<int>::iterator NeighbourList::begin

(

)

[inline]

References neighbours.

std::list<int>::iterator NeighbourList::end

(

)

[inline]

References neighbours.

void NeighbourList::setOverlappingWith

(

const std::vector< NeighbourList > &

list

)

[inline]

References sqDist(), shellInfo, ShellSpecStruct_::centerCoords, extent, and neighbours.

size_t NeighbourList::size

(

)

const [inline]

References neighbours.

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Member Data Documentation

ergo_real NeighbourList::extent [private]

an approximation for the shell extent.

Referenced by NeighbourList(), and setOverlappingWith().

std::list<int> NeighbourList::neighbours [private]

Referenced by setOverlappingWith(), begin(), end(), and size().

const ShellSpecStruct* NeighbourList::shellInfo [private]

Referenced by setOverlappingWith().

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

• source/dft/sparse_matrix.cc