integrals_2el_utils.cc File Reference

#include <string.h>
#include "integrals_2el_utils.h"
#include "integrals_hermite.h"
#include "template_blas_common.h"
#include "basis_func_extent.h"
#include "integrals_2el_repeating.h"
#include "integrals_general.h"

Functions
ergo_real	get_max_abs_vector_element (int n, const ergo_real *vector)
void	allocate_buffers_needed_by_integral_code (const IntegralInfo *integralInfo, int maxNoOfMonomials, int basisFuncListCount_max, JK_contribs_buffer_struct *bufferStruct)
void	free_buffers_needed_by_integral_code (JK_contribs_buffer_struct *bufferStruct)
int	get_related_integrals_h (const IntegralInfo *b, const JK::ExchWeights &CAM_params, int n1max, int noOfMonomials_1, int n2max, int noOfMonomials_2, ergo_real dx0, ergo_real dx1, ergo_real dx2, ergo_real alpha1, ergo_real alpha2, ergo_real alpha0, ergo_real *primitiveIntegralList, ergo_real *primitiveIntegralList_work, ergo_real resultPreFactor)
static ergo_real	erfc_inverse (ergo_real x, ergo_real requested_accuracy)
void	compute_extent_for_list_of_distributions (int n, DistributionSpecStructLabeled *distrList, ergo_real threshold, ergo_real maxLimitingFactor, ergo_real maxabsDmatelement)
int	get_list_of_labeled_distrs_maxLimitingFactor (const BasisInfoStruct &basisInfo, const IntegralInfo *integralInfo, ergo_real threshold, ergo_real *resultMaxLimitingFactor, ergo_real maxDensityMatrixElement)
int	get_list_of_labeled_distrs (const BasisInfoStruct &basisInfo, const IntegralInfo *integralInfo, ergo_real threshold, DistributionSpecStructLabeled *resultList, int maxCountDistrs, ergo_real maxLimitingFactor, const ergo_real *dens, ergo_real maxDensityMatrixElement)
static void	create_item_list_from_list_of_distributions (int n, const DistributionSpecStructLabeled *distrList, box_item_struct *itemList)
int	create_box_system_and_reorder_distrs (int distrCount, DistributionSpecStructLabeled *distrList, ergo_real toplevelBoxSize, BoxSystem &boxSystem)

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Function Documentation

void allocate_buffers_needed_by_integral_code	(	const IntegralInfo *	integralInfo,
		int	maxNoOfMonomials,
		int	basisFuncListCount_max,
		JK_contribs_buffer_struct *	bufferStruct
	)

void compute_extent_for_list_of_distributions	(	int	n,
		DistributionSpecStructLabeled *	distrList,
		ergo_real	threshold,
		ergo_real	maxLimitingFactor,
		ergo_real	maxabsDmatelement
	)

int create_box_system_and_reorder_distrs	(	int	distrCount,
		DistributionSpecStructLabeled *	distrList,
		ergo_real	toplevelBoxSize,
		BoxSystem &	boxSystem
	)

static void create_item_list_from_list_of_distributions	(	int	n,
		const DistributionSpecStructLabeled *	distrList,
		box_item_struct *	itemList
	)			[static]

static ergo_real erfc_inverse	(	ergo_real	x,
		ergo_real	requested_accuracy
	)			[static]

void free_buffers_needed_by_integral_code

(

JK_contribs_buffer_struct *

bufferStruct

)

int get_list_of_labeled_distrs	(	const BasisInfoStruct &	basisInfo,
		const IntegralInfo *	integralInfo,
		ergo_real	threshold,
		DistributionSpecStructLabeled *	resultList,
		int	maxCountDistrs,
		ergo_real	maxLimitingFactor,
		const ergo_real *	dens,
		ergo_real	maxDensityMatrixElement
	)

int get_list_of_labeled_distrs_maxLimitingFactor	(	const BasisInfoStruct &	basisInfo,
		const IntegralInfo *	integralInfo,
		ergo_real	threshold,
		ergo_real *	resultMaxLimitingFactor,
		ergo_real	maxDensityMatrixElement
	)

ergo_real get_max_abs_vector_element	(	int	n,
		const ergo_real *	vector
	)

int get_related_integrals_h	(	const IntegralInfo *	b,
		const JK::ExchWeights &	CAM_params,
		int	n1max,
		int	noOfMonomials_1,
		int	n2max,
		int	noOfMonomials_2,
		ergo_real	dx0,
		ergo_real	dx1,
		ergo_real	dx2,
		ergo_real	alpha1,
		ergo_real	alpha2,
		ergo_real	alpha0,
		ergo_real *	primitiveIntegralList,
		ergo_real *	primitiveIntegralList_work,
		ergo_real	resultPreFactor
	)

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