28 #ifndef INTEGRALS_2EL_COULOMB_HEADER 29 #define INTEGRALS_2EL_COULOMB_HEADER 56 int basisFuncIndexPairCount,
59 int noOfBasisFuncIndexPairs);
double ergo_real
Definition: realtype.h:53
Definition: integrals_2el.h:36
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_coulomb.cc:2474
Definition: basis_func_pair_list.h:39
Contains coefficients needed for quick integral evaluation.
Definition: integral_info.h:81
Definition: basisinfo.h:111
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_coulomb.cc:1734
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_coulomb.cc:2546