28 #ifndef ORGANIZE_DISTRS_HEADER 29 #define ORGANIZE_DISTRS_HEADER 82 #ifndef BASIS_FUNC_POLY_MAX_DEGREE 83 #error The constant BASIS_FUNC_POLY_MAX_DEGREE must be defined. 85 #if BASIS_FUNC_POLY_MAX_DEGREE<6 86 #define MAX_NO_OF_BASIS_FUNC_PAIRS_PER_CHUNK 1000 88 #define MAX_NO_OF_BASIS_FUNC_PAIRS_PER_CHUNK 10000 125 minimalDistrCount(0),
129 basisFuncPairCount(0),
130 basisFuncForChunksCount(0),
131 basisFuncListCount(0),
133 maxDistanceOutsideBox(0)
ergo_real maxLimitingFactorForCluster
Definition: organize_distrs.h:66
double ergo_real
Definition: realtype.h:53
int index_2
Definition: organize_distrs.h:73
int index_1_mod
Definition: organize_distrs.h:74
int groupStartIndex
Definition: organize_distrs.h:64
std::vector< chunk_struct > chunkList
Definition: organize_distrs.h:107
Definition: organize_distrs.h:38
int nmax
Definition: organize_distrs.h:62
int basisFuncListCount
Definition: organize_distrs.h:121
ergo_real dmatElement
Definition: organize_distrs.h:79
int nmax
Definition: organize_distrs.h:42
int index_2_mod
Definition: organize_distrs.h:75
int pairIndex
Definition: organize_distrs.h:78
int groupCount
Definition: organize_distrs.h:116
Definition: organize_distrs.h:91
std::vector< minimal_distr_struct > minimalDistrList
Definition: organize_distrs.h:104
ergo_real maxSizeGroup
Definition: organize_distrs.h:45
int noOfGroups
Definition: organize_distrs.h:65
Definition: multipole.h:53
int index_inbox_2
Definition: organize_distrs.h:77
int clusterCount
Definition: organize_distrs.h:117
int organize_distributions(const IntegralInfo &integralInfo, DistributionSpecStructLabeled *distrList_in, int distrCount, distr_org_struct *result, const ergo_real *boxCenterCoords, ergo_real boxWidth)
Definition: organize_distrs.cc:94
ergo_real maxDistanceOutsideBox
Definition: organize_distrs.h:123
std::vector< int > basisFuncListForChunks_map
Definition: organize_distrs.h:110
std::vector< i_j_val_struct > spMatElementList
Definition: organize_distrs.h:112
ergo_real maxExtentGroup
Definition: organize_distrs.h:46
Contains coefficients needed for quick integral evaluation.
Definition: integral_info.h:81
ergo_real maxLimitingFactorGroup
Definition: organize_distrs.h:47
ergo_real coeff
Definition: organize_distrs.h:57
std::vector< distr_group_struct > groupList
Definition: organize_distrs.h:105
int basisFuncPairCount
Definition: organize_distrs.h:119
int index_1
Definition: organize_distrs.h:72
int basisFuncPairListIndex
Definition: organize_distrs.h:96
int startIndex
Definition: organize_distrs.h:40
ergo_real exponent
Definition: organize_distrs.h:44
ergo_real maxExtent
Definition: organize_distrs.h:122
int global_debug_id
Definition: organize_distrs.h:99
int distrCount
Definition: organize_distrs.h:41
std::vector< basis_func_pair_struct > basisFuncPairList
Definition: organize_distrs.h:108
multipole_struct_small * multipolePtr
Definition: organize_distrs.h:49
std::vector< int > basisFuncListForChunks
Definition: organize_distrs.h:109
int chunkCount
Definition: organize_distrs.h:118
std::vector< int > spMatCountList
Definition: organize_distrs.h:113
Definition: organize_distrs.h:103
int index_inbox_1
Definition: organize_distrs.h:76
int basisFuncForChunkCount
Definition: organize_distrs.h:98
Definition: organize_distrs.h:53
distr_org_struct()
Definition: organize_distrs.h:124
int clusterStartIndex
Definition: organize_distrs.h:93
std::vector< int > spMatIdxList
Definition: organize_distrs.h:114
int basisFuncForChunksIndex
Definition: organize_distrs.h:97
int noOfClusters
Definition: organize_distrs.h:94
int minimalDistrCount
Definition: organize_distrs.h:115
int noOfBasisFuncPairs
Definition: organize_distrs.h:95
#define MAX_MULTIPOLE_DEGREE_BASIC
Definition: multipole.h:39
int basisFuncPairIndex
Definition: organize_distrs.h:55
Definition: organize_distrs.h:60
int basisFuncForChunksCount
Definition: organize_distrs.h:120
Definition: organize_distrs.h:70
int monomialIndex
Definition: organize_distrs.h:56
std::vector< cluster_struct > clusterList
Definition: organize_distrs.h:106
ergo_real exponent
Definition: organize_distrs.h:63
Definition: basisinfo.h:52
ergo_real maxAbsDmatElementGroup
Definition: organize_distrs.h:48
std::vector< int > basisFuncList
Definition: organize_distrs.h:111