source/integrals/integral_info.h File Reference
Defines IntegralInfo object, providing the coefficients needed for integral evaluation.
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#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.
Detailed Description
Defines IntegralInfo object, providing the coefficients needed for integral evaluation.
- Author:
- : Elias Rudberg responsible
Define Documentation
#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 |
Function Documentation
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 |
) |
|