Rechercher une page de manuel
sc_ShellExtent
Langue: en
Version: 347154 (ubuntu - 24/10/10)
Section: 3 (Bibliothèques de fonctions)
Sommaire
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
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.
Contenus ©2006-2024 Benjamin Poulain
Design ©2006-2024 Maxime Vantorre