basis_func_extent.h File Reference

Code for determining extent of basis functions, for 2-electron integral evaluation. More...

#include "realtype.h"
#include "integral_info.h"
#include "basisinfo.h"

Go to the source code of this file.

Functions
int	compute_extent_for_all_basis_funcs_2el (const IntegralInfo &integralInfo, const BasisInfoStruct &basisInfo, ergo_real *basisFuncExtentList, ergo_real threshold, ergo_real maxAbsDensMatElement)

Detailed Description

Code for determining extent of basis functions, for 2-electron integral evaluation.

Author

: Elias Rudberg responsible

Function Documentation

compute_extent_for_all_basis_funcs_2el()

int compute_extent_for_all_basis_funcs_2el	(	const IntegralInfo &	integralInfo,
		const BasisInfoStruct &	basisInfo,
		ergo_real *	basisFuncExtentList,
		ergo_real	threshold,
		ergo_real	maxAbsDensMatElement )

References compute_extent_for_all_basis_funcs_core(), do_output(), ExponentList::get_list_of_available_exponents(), get_M(), LOG_AREA_INTEGRALS, and LOG_CAT_ERROR.

Referenced by get_basis_func_pair_list_2el(), get_list_of_labeled_distrs(), and get_list_of_labeled_distrs_maxLimitingFactor().