ergo
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#include <grid_atomic.h>
Public Member Functions | |
RadialSchemeGC2 () | |
virtual void | init (int myNumber, int charge, real threshold) |
Initializes RadialSchemeGC2 grid generator. More... | |
virtual void | generate (real *r, real *w) |
Generates grid point positions and weights using Gauss-Chebyshev quadrature of second kind. More... | |
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RadialScheme (const char *n) | |
int | size () const |
virtual | ~RadialScheme () |
Public Attributes | |
void * | quadData |
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const char * | name |
int | gridSize |
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inline |
Generates grid point positions and weights using Gauss-Chebyshev quadrature of second kind.
The rad and wght arrays are filled in.
Implements RadialScheme.
References RadialScheme::gridSize, template_blas_cos(), template_blas_log(), and template_blas_sin().
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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.
References RadialScheme::gridSize, template_blas_log10(), and template_blas_sqrt().
void* RadialSchemeGC2::quadData |