A class that is able to quickly determine the active shells that overlap with given box in space. More...

Public Member Functions
	ActiveBfShells (const GridGenMolInfo &ggmi_)
int	getMaxShells () const
	~ActiveBfShells ()
void	setForBox (const Box &b, int nBlocks, int(shlBlocks)[2]) const
	the start and stop+1 indexes.

Static Public Member Functions
static int	getNoOfShells (int nBlocks, int(*shlBlocks)[2])

Private Attributes
const GridGenMolInfo &	ggmi
real *	rShell2

Detailed Description

A class that is able to quickly determine the active shells that overlap with given box in space.

Constructor & Destructor Documentation

◆ ActiveBfShells()

ActiveBfShells::ActiveBfShells ( const GridGenMolInfo & ggmi_ )

inlineexplicit

References ggmi, and rShell2.

◆ ~ActiveBfShells()

ActiveBfShells::~ActiveBfShells ( )

inline

References rShell2.

Member Function Documentation

◆ getMaxShells()

int ActiveBfShells::getMaxShells ( ) const

inline

References ggmi.

Referenced by Stream::saveThread().

◆ getNoOfShells()

int ActiveBfShells::getNoOfShells	(	int	nBlocks,
		int(*)	shlBlocks[2] )

inlinestatic

◆ setForBox()

void ActiveBfShells::setForBox	(	const Box &	b,
		int *	nBlocks,
		int(*)	shlBlocks[2] ) const

the start and stop+1 indexes.

References Box::getMaxDim(), ggmi, Box::hi, Box::lo, rShell2, and Box::size().

Member Data Documentation

◆ ggmi

const GridGenMolInfo& ActiveBfShells::ggmi

private

Referenced by ActiveBfShells(), getMaxShells(), and setForBox().

◆ rShell2

real* ActiveBfShells::rShell2