Defines IntegralInfo object, providing the coefficients needed for integral evaluation. More...

#include "realtype.h"
#include "monomial_info.h"
#include "hermite_conversion_prep.h"
#include "boysfunction.h"
#include "multipole_prep.h"
#include "mm_limit_table.h"

Classes
struct	basis_func_term_struct
struct	basis_func_poly_struct
struct	poly_12_term_struct
struct	poly_12_struct
class	IntegralInfo
	Contains coefficients needed for quick integral evaluation. More...
struct	JK::ExchWeights

Namespaces
namespace	JK

Macros
#define	MAX_NO_OF_TERMS_IN_BASIS_FUNC_POLY 12
#define	MAX_NO_OF_POLY_12_TERMS 180
#define	MAX_NO_OF_BASIS_FUNC_POLYS 50

Functions
int	get_poly_info_from_shell_type (int polyid_start, int poly_count, int shellType)
int	get_no_of_basis_func_polys_used_from_no_of_shell_types (int no_of_shell_types)
int	get_shell_type_from_basis_func_poly_id (int basfuncpolyid)

Detailed Description

Defines IntegralInfo object, providing the coefficients needed for integral evaluation.

Author: : Elias Rudberg responsible

Macro Definition Documentation

◆ MAX_NO_OF_BASIS_FUNC_POLYS

#define MAX_NO_OF_BASIS_FUNC_POLYS 50

Referenced by IntegralInfo::assign_from_buffer(), IntegralInfo::get_size(), setup_basis_func_polys(), and IntegralInfo::write_to_buffer().

◆ MAX_NO_OF_POLY_12_TERMS

#define MAX_NO_OF_POLY_12_TERMS 180

◆ MAX_NO_OF_TERMS_IN_BASIS_FUNC_POLY

#define MAX_NO_OF_TERMS_IN_BASIS_FUNC_POLY 12

Referenced by get_real_solid_harmonic_poly().

Function Documentation

◆ get_no_of_basis_func_polys_used_from_no_of_shell_types()

int get_no_of_basis_func_polys_used_from_no_of_shell_types ( int no_of_shell_types )

◆ get_poly_info_from_shell_type()

int get_poly_info_from_shell_type	(	int *	polyid_start,
		int *	poly_count,
		int	shellType )

◆ get_shell_type_from_basis_func_poly_id()

int get_shell_type_from_basis_func_poly_id ( int basfuncpolyid )

Classes

Namespaces

Macros

Functions