basis_func_pair_list_1el.cc File Reference

#include <memory.h>
#include <stdio.h>
#include <stdlib.h>
#include <math.h>
#include "basis_func_pair_list_1el.h"
#include "basis_func_extent_1el.h"
#include "output.h"
#include "pi.h"
#include "box_system.h"
#include "utilities.h"
#include "integrals_general.h"

Functions
int	get_basis_func_pair_list_1el (const BasisInfoStruct &basisInfo, ergo_real threshold, ergo_real maxCharge, basis_func_index_pair_struct_1el *result_basisFuncPairList, int resultMaxCount)

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Function Documentation

int get_basis_func_pair_list_1el	(	const BasisInfoStruct &	basisInfo,
		ergo_real	threshold,
		ergo_real	maxCharge,
		basis_func_index_pair_struct_1el *	result_basisFuncPairList,
		int	resultMaxCount
	)

References BasisInfoStruct::noOfBasisFuncs, do_output(), LOG_CAT_INFO, LOG_AREA_INTEGRALS, compute_extent_for_all_basis_funcs_1el(), LOG_CAT_ERROR, BasisInfoStruct::basisFuncList, BasisFuncStruct_::centerCoords, box_item_struct::originalIndex, BoxSystem::create_box_system(), BoxSystem::get_items_near_point(), distance(), POLY_PRODUCT_MAX_DISTRS, get_product_simple_primitives(), pi, basis_func_index_pair_struct_1el::index_1, and basis_func_index_pair_struct_1el::index_2.

Referenced by compute_V_sparse().