MyMolInfo Class Reference

Inheritance diagram for MyMolInfo:

List of all members.

Public Member Functions
	MyMolInfo ()
virtual void	getAtom (int icent, int *cnt, real(*coor)[3], int *charge, int *mult) const
virtual void	setShellRadii (real *shellRadii) const
virtual void	getBlocks (const real *center, real cellsz, const real *rshell, int *nblcnt, int(*iblcks)[2]) const
virtual void	getExps (int *maxl, int **bascnt, real(**aa)[2]) const
	MyMolInfo (int a, int b, int s)
void	getAtom (int icent, int *cnt, real(*coor)[3], int *charge, int *mult) const
void	setShellRadii (real *shellRadii) const
void	getBlocks (const real *center, real cellsz, const real *rshell, int *nblcnt, int(*iblcks)[2]) const
void	getExps (int *maxl, int **bascnt, real(**aa)[2]) const

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Constructor & Destructor Documentation

MyMolInfo::MyMolInfo

(

)

[inline]

MyMolInfo::MyMolInfo	(	int	a,
		int	b,
		int	s
	)			[inline]

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Member Function Documentation

void MyMolInfo::getAtom	(	int	icent,
		int *	cnt,
		real *	coor[3],
		int *	charge,
		int *	mult
	)			const [inline, virtual]

Implements GridGenMolInfo.

virtual void MyMolInfo::getAtom	(	int	icent,
		int *	cnt,
		real *	coor[3],
		int *	charge,
		int *	mult
	)			const [inline, virtual]

Implements GridGenMolInfo.

void MyMolInfo::getBlocks	(	const real *	center,
		real	cellsz,
		const real *	rshell,
		int *	nblcnt,
		int *	iblcks[2]
	)			const [inline, virtual]

Implements GridGenMolInfo.

virtual void MyMolInfo::getBlocks	(	const real *	center,
		real	cellsz,
		const real *	rshell,
		int *	nblcnt,
		int *	iblcks[2]
	)			const [inline, virtual]

Implements GridGenMolInfo.

void MyMolInfo::getExps	(	int *	maxl,
		int **	bascnt,
		real **	aa[2]
	)			const [inline, virtual]

Implements GridGenMolInfo.

virtual void MyMolInfo::getExps	(	int *	maxl,
		int **	bascnt,
		real **	aa[2]
	)			const [inline, virtual]

Implements GridGenMolInfo.

void MyMolInfo::setShellRadii

(

real *

shellRadii

)

const [inline, virtual]

Implements GridGenMolInfo.

virtual void MyMolInfo::setShellRadii

(

real *

shellRadii

)

const [inline, virtual]

Implements GridGenMolInfo.

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

• source/test/grid_test.cc
• source/test/stream_test.cc

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