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]


Generated on Mon Sep 17 14:30:41 2012 for ergo by  doxygen 1.4.7