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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
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Version 2.3.1 Fri Feb 19 2016 sc::ShellExtent(3)