Inheritance diagram for sc::ShellExtent:

Public Member Functions
void	init (const Ref< GaussianBasisSet > &, double resolution=1.0, double tolerance=DBL_EPSILON)

const std::vector< ExtentData > &	contributing_shells (int x, int y, int z)
	Returns the shells that are nonzero at coordinates x, y, z.

const std::vector< ExtentData > &	contributing_shells (double x, double y, double z)

void	print (std::ostream &o=ExEnv::out0())

const int *	n () const

int	n (int ixyz) const

double	lower (int ixyz) const

double	upper (int ixyz) const

double	resolution () const

Public Member Functions inherited from sc::RefCount
size_t	identifier () const
	Return the unique identifier for this object that can be compared for different objects of different types.

int	lock_ptr () const
	Lock this object.

int	unlock_ptr () const
	Unlock this object.

void	use_locks (bool inVal)
	start and stop using locks on this object

refcount_t	nreference () const
	Return the reference count.

refcount_t	reference ()
	Increment the reference count and return the new count.

refcount_t	dereference ()
	Decrement the reference count and return the new count.

int	managed () const
	Return 1 if the object is managed. Otherwise return 0.

Additional Inherited Members
Protected Member Functions inherited from sc::RefCount
	RefCount (const RefCount &)

RefCount &	operator= (const RefCount &)

Member Function Documentation

◆ contributing_shells()

const std::vector< ExtentData > & sc::ShellExtent::contributing_shells	(	int	x,
		int	y,
		int	z )

inline

Returns the shells that are nonzero at coordinates x, y, z.

The shells numbers are in ascending order.

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