Provided by: libsc-doc_2.3.1-21_all
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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