28 #ifndef INTEGRALS_2EL_LAYER_HEADER
29 #define INTEGRALS_2EL_LAYER_HEADER
int compute_2e_matrix_list_difden(const BasisInfoStruct &basisInfo, const IntegralInfo &integralInfo, const JK::ExchWeights &CAM_params, ergo_real **resultList, ergo_real **densList, int noOfMatrices, const JK::Params &J_K_params)
Definition: integrals_2el_layer.cc:47
double ergo_real
Definition: realtype.h:53
Definition: integrals_2el.h:36
Definition: densityfitting.h:37
Definition: integral_info.h:120
Contains coefficients needed for quick integral evaluation.
Definition: integral_info.h:81
int compute_2e_matrix_coulomb(const BasisInfoStruct &basisInfo, const BasisInfoStruct &basisInfoDensFit, const IntegralInfo &integralInfo, ergo_real *J, ergo_real *dens, const JK::Params &J_K_params, DensfitData *U_inverse)
Definition: integrals_2el_layer.cc:332
Definition: basisinfo.h:111
int compute_2e_matrices_exchange(const BasisInfoStruct &basisInfo, const IntegralInfo &integralInfo, const JK::ExchWeights &CAM_params, int noOfMatrices, ergo_real **K_list, ergo_real **D_list, ergo_real threshold)
Definition: integrals_2el_layer.cc:317
int compute_2e_matrix_list(const BasisInfoStruct &basisInfo, const IntegralInfo &integralInfo, const JK::ExchWeights &CAM_params, ergo_real **resultList, ergo_real **densList, int noOfMatrices, const JK::Params &J_K_params)
Definition: integrals_2el_layer.cc:159
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:304