sc::ShellExtent(3) MPQC sc::ShellExtent(3)NAME
sc::ShellExtent -
SYNOPSIS
Inherits sc::RefCount.
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
Additional Inherited Members
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.
Author
Generated automatically by Doxygen for MPQC from the source code.
Version 2.3.1 Fri Feb 19 2016 sc::ShellExtent(3)
