sc::ShellExtent Class Reference

Inheritance diagram for sc::ShellExtent:

List of all members.

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

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Member Function Documentation

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.

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

• extent.h