ShellTree Class Reference

Class that allows to find in NLogN time all shells that overlap with a given box. More...

List of all members.

Public Member Functions
	ShellTree (const BasisInfoStruct &bis_, const real *rShells_)
	root node constructor.
	ShellTree (const BasisInfoStruct &bis_, const real *rshell, const std::list< int > &activeShells, const Box &bb)
	Constructs the ShellTree.
	~ShellTree ()
void	init (const BasisInfoStruct &bis_, const real *rShells_, const std::list< int > &activeShells, const Box &bb)
void	getOverlappingWith (const real *center, real cellsz, std::map< int, int > &res) const
Private Attributes
const ShellSpecStruct *	shells
ShellTree *	smaller
ShellTree *	larger
ergo_real	dividingValue
int	dividingDimension
std::map< int, ergo_real >	ownShells
	set only for leaves, i.e.
ergo_real	maxRadius
	upper limit of ownShell radius.

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Detailed Description

Class that allows to find in NLogN time all shells that overlap with a given box.

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Constructor & Destructor Documentation

ShellTree::ShellTree	(	const BasisInfoStruct &	bis_,
		const real *	rShells
	)

root node constructor.

It does some initalization work and passes on the ball to the leave constructors.

ShellTree::ShellTree	(	const BasisInfoStruct &	bis_,
		const real *	rshell,
		const std::list< int > &	activeShells,
		const Box &	bb
	)

Constructs the ShellTree.

ShellTree::~ShellTree

(

)

[inline]

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Member Function Documentation

void ShellTree::getOverlappingWith	(	const real *	center,
		real	cellsz,
		std::map< int, int > &	res
	)			const

void ShellTree::init	(	const BasisInfoStruct &	bis_,
		const real *	rShells_,
		const std::list< int > &	activeShells,
		const Box &	bb
	)

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Member Data Documentation

int ShellTree::dividingDimension [private]

ergo_real ShellTree::dividingValue [private]

ShellTree* ShellTree::larger [private]

ergo_real ShellTree::maxRadius [private]

upper limit of ownShell radius.

std::map<int,ergo_real> ShellTree::ownShells [private]

set only for leaves, i.e.

such ShellTree objects that have smaller and larger fields set to NULL. Tree node contains a shell

const ShellSpecStruct* ShellTree::shells [private]

ShellTree* ShellTree::smaller [private]

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

• source/dft/dft_common.cc

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