integrals_2el_boxed.cc File Reference

#include <string.h>
#include "integrals_2el_boxed.h"
#include "integrals_2el_utils.h"
#include "organize_distrs.h"
#include "pi.h"
#include "utilities.h"

Classes
struct	abcd_struct
struct	point_3d_struct
Defines
#define	set_abcd_list_item_macro(i, A, B, C, D, v, i1, i2)   list[i].a = A; list[i].b = B; list[i].c = C; list[i].d = D; list[i].densValue = v; list[i].idx1 = i1; list[i].idx2 = i2;
#define	NUMBER_OF_PARTS   1
Functions
static int	get_JK_contribs_from_2_interacting_boxes (const BasisInfoStruct &basisInfo, const IntegralInfo *integralInfo, int maxNoOfMonomials, ergo_real *J, ergo_real *K, const ergo_real *dens, const minimal_distr_struct *minimalDistrList_1, int noOfGroups_1, const distr_group_struct *groupList_1, const minimal_distr_struct *minimalDistrList_2, int noOfGroups_2, const distr_group_struct *groupList_2, const cluster_struct *clusterList_1, int nClusters_1, const cluster_struct *clusterList_2, int nClusters_2, const chunk_struct *chunkList_1, int nChunks_1, const chunk_struct *chunkList_2, int nChunks_2, const basis_func_pair_struct *basisFuncPairList_1, const basis_func_pair_struct *basisFuncPairList_2, int interactionWithSelf, ergo_real threshold, JK_contribs_buffer_struct *bufferStructPtr)
int	compute_JK_single_box (const BasisInfoStruct &basisInfo, const IntegralInfo *integralInfo, ergo_real *J, ergo_real *K, const ergo_real *dens, ergo_real threshold)
Variables
static const int	HUGE_INTEGER_NUMBER = 2000000000

---

Define Documentation

#define NUMBER_OF_PARTS   1

#define set_abcd_list_item_macro	(	i,
		A,
		B,
		C,
		D,
		v,
		i1,
		i2		)	list[i].a = A; list[i].b = B; list[i].c = C; list[i].d = D; list[i].densValue = v; list[i].idx1 = i1; list[i].idx2 = i2;

---

Function Documentation

int compute_JK_single_box	(	const BasisInfoStruct &	basisInfo,
		const IntegralInfo *	integralInfo,
		ergo_real *	J,
		ergo_real *	K,
		const ergo_real *	dens,
		ergo_real	threshold
	)

static int get_JK_contribs_from_2_interacting_boxes	(	const BasisInfoStruct &	basisInfo,
		const IntegralInfo *	integralInfo,
		int	maxNoOfMonomials,
		ergo_real *	J,
		ergo_real *	K,
		const ergo_real *	dens,
		const minimal_distr_struct *	minimalDistrList_1,
		int	noOfGroups_1,
		const distr_group_struct *	groupList_1,
		const minimal_distr_struct *	minimalDistrList_2,
		int	noOfGroups_2,
		const distr_group_struct *	groupList_2,
		const cluster_struct *	clusterList_1,
		int	nClusters_1,
		const cluster_struct *	clusterList_2,
		int	nClusters_2,
		const chunk_struct *	chunkList_1,
		int	nChunks_1,
		const chunk_struct *	chunkList_2,
		int	nChunks_2,
		const basis_func_pair_struct *	basisFuncPairList_1,
		const basis_func_pair_struct *	basisFuncPairList_2,
		int	interactionWithSelf,
		ergo_real	threshold,
		JK_contribs_buffer_struct *	bufferStructPtr
	)			[static]

---

Variable Documentation

const int HUGE_INTEGER_NUMBER = 2000000000 [static]

---