38 #ifndef INTEGRALS_2EL_LAYER_HEADER 39 #define INTEGRALS_2EL_LAYER_HEADER double ergo_real
Definition: realtype.h:69
Definition: integrals_2el.h:44
Code for setting up basis functions starting from shells.
int compute_2e_matrix_coulomb(const BasisInfoStruct &basisInfo, const IntegralInfo &integralInfo, ergo_real *J, ergo_real *dens, const JK::Params &J_K_params)
Definition: integrals_2el_layer.cc:73
Definition: integral_info.h:147
Contains coefficients needed for quick integral evaluation.
Definition: integral_info.h:93
Defines IntegralInfo object, providing the coefficients needed for integral evaluation.
Definition: basisinfo.h:112
Parameters related to integral evaluation.
int compute_2e_matrix_exchange(const BasisInfoStruct &basisInfo, const IntegralInfo &integralInfo, const JK::ExchWeights &CAM_params, ergo_real *K, ergo_real *dens, ergo_real threshold)
Definition: integrals_2el_layer.cc:52