#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 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; |
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] |
const int HUGE_INTEGER_NUMBER = 2000000000 [static] |