37 #ifndef INTEGRALS_2EL_J_HEADER 38 #define INTEGRALS_2EL_J_HEADER 65 int basisFuncIndexPairCount,
68 int noOfBasisFuncIndexPairs);
Functions for setting up lists of non-negligible basis function pairs, for 2-electron integrals...
double ergo_real
Definition: realtype.h:69
Definition: integrals_2el.h:44
int compute_J_by_boxes_nosymm(const BasisInfoStruct &basisInfo, const IntegralInfo &integralInfo, const JK::Params &J_K_params, ergo_real *J, const ergo_real *dens)
Definition: integrals_2el_J.cc:1800
int compute_J_by_boxes_linear(const BasisInfoStruct &basisInfo, const IntegralInfo &integralInfo, const JK::Params &J_K_params, const basis_func_index_pair_struct *basisFuncIndexPairList, int basisFuncIndexPairCount, const ergo_real *D_list, ergo_real *result_J_list, int noOfBasisFuncIndexPairs)
Computes the Coulomb interaction.
Definition: integrals_2el_J.cc:1260
Code for setting up basis functions starting from shells.
Definition: basis_func_pair_list.h:47
Contains coefficients needed for quick integral evaluation.
Definition: integral_info.h:93
int compute_J_by_boxes(const BasisInfoStruct &basisInfo, const IntegralInfo &integralInfo, const JK::Params &J_K_params, ergo_real *J, const ergo_real *dens)
Definition: integrals_2el_J.cc:1728
Definition: basisinfo.h:112
Parameters related to integral evaluation.