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ActiveBfShells Class Reference

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 GridGenMolInfoggmi
realrShell2

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 ( const GridGenMolInfo ggmi_)
inlineexplicit
ActiveBfShells::~ActiveBfShells ( )
inline

References rShell2.

Member Function Documentation

int ActiveBfShells::getMaxShells ( ) const
inline
static int ActiveBfShells::getNoOfShells ( int  nBlocks,
int(*)  shlBlocks[2] 
)
inlinestatic
void ActiveBfShells::setForBox ( const Box b,
int *  nBlocks,
int(*)  shlBlocks[2] 
) const

the start and stop+1 indexes.

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

Referenced by Stream::saveAtomGridInBox().

Member Data Documentation

const GridGenMolInfo& ActiveBfShells::ggmi
private
real* ActiveBfShells::rShell2
private

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