source/integrals/basis_func_pair_list_1el.h File Reference

Functions for setting up lists of non-negligible basis function pairs, for 1-electron integrals. More...

#include "realtype.h"
#include "basisinfo.h"

Go to the source code of this file.

Classes

struct  basis_func_index_pair_struct_1el

Functions

int get_basis_func_pair_list_1el_for_V (const BasisInfoStruct &basisInfo, ergo_real threshold, ergo_real boxSize, ergo_real maxCharge, basis_func_index_pair_struct_1el *result_basisFuncPairList, int resultMaxCount)
int get_basis_func_pair_list_simple (const BasisInfoStruct &basisInfo, ergo_real threshold, ergo_real boxSize, basis_func_index_pair_struct_1el *result_basisFuncPairList, int resultMaxCount)

Detailed Description

Functions for setting up lists of non-negligible basis function pairs, for 1-electron integrals.

Author:
: Elias Rudberg responsible

Function Documentation

int get_basis_func_pair_list_1el_for_V ( const BasisInfoStruct basisInfo,
ergo_real  threshold,
ergo_real  boxSize,
ergo_real  maxCharge,
basis_func_index_pair_struct_1el result_basisFuncPairList,
int  resultMaxCount 
)
int get_basis_func_pair_list_simple ( const BasisInfoStruct basisInfo,
ergo_real  threshold,
ergo_real  boxSize,
basis_func_index_pair_struct_1el result_basisFuncPairList,
int  resultMaxCount 
)

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