ergo
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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"
Go to the source code of this file.
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 | |
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) |
Defines IntegralInfo object, providing the coefficients needed for integral evaluation.
#define MAX_NO_OF_BASIS_FUNC_POLYS 50 |
#define MAX_NO_OF_POLY_12_TERMS 180 |
#define MAX_NO_OF_TERMS_IN_BASIS_FUNC_POLY 12 |
Referenced by get_real_solid_harmonic_poly().
int get_no_of_basis_func_polys_used_from_no_of_shell_types | ( | int | no_of_shell_types | ) |
int get_poly_info_from_shell_type | ( | int * | polyid_start, |
int * | poly_count, | ||
int | shellType | ||
) |
int get_shell_type_from_basis_func_poly_id | ( | int | basfuncpolyid | ) |