MPQC 2.3.1

sc::ShellExtent Class Reference

Inheritance diagram for sc::ShellExtent:
sc::RefCount sc::Identity

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

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.


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

Generated at Mon Feb 28 2011 00:27:01 for MPQC 2.3.1 using the documentation package Doxygen 1.7.3.