#include <grid_atomic.h>
Inheritance diagram for RadialSchemeGC2:
Public Member Functions | |
RadialSchemeGC2 () | |
virtual void | init (int myNumber, int charge, real threshold) |
Initializes RadialSchemeGC2 grid generator. | |
virtual void | generate (real *r, real *w) |
Generates grid point positions and weights using Gauss-Chebyshev quadrature of second kind. | |
Public Attributes | |
void * | quadData |
RadialSchemeGC2::RadialSchemeGC2 | ( | ) | [inline] |
Generates grid point positions and weights using Gauss-Chebyshev quadrature of second kind.
The rad and wght arrays are filled in.
Implements RadialScheme.
void RadialSchemeGC2::init | ( | int | myNumber, | |
int | Z, | |||
real | thrl | |||
) | [virtual] |
Initializes RadialSchemeGC2 grid generator.
Determinates number of radial points to be used for Gauss-Chebyshev quadrature of second kind needed to integrate atom of specified Z number to specified threshold thrl.
Implements RadialScheme.