37 #ifndef INTEGRALS_2EL_K_HEADER 38 #define INTEGRALS_2EL_K_HEADER int compute_K_by_boxes(const BasisInfoStruct &basisInfo, const IntegralInfo &integralInfo, const JK::ExchWeights &CAM_params_in, const JK::Params &J_K_params, csr_matrix_struct *K_CSR, csr_matrix_struct *densCSR, int symmetryFlag)
Definition: integrals_2el_K.cc:679
double ergo_real
Definition: realtype.h:69
Definition: integrals_2el.h:44
Compressed sparse row (CSR) matrix functionality.
Code for setting up basis functions starting from shells.
Definition: integral_info.h:147
Contains coefficients needed for quick integral evaluation.
Definition: integral_info.h:93
Definition: csr_matrix.h:50
Definition: basisinfo.h:112
int compute_K_by_boxes_dense(const BasisInfoStruct &basisInfo, const IntegralInfo &integralInfo, const JK::ExchWeights &CAM_params_in, const JK::Params &J_K_params, ergo_real *K_dense, const ergo_real *D_dense, int symmetryFlag)
Definition: integrals_2el_K.cc:1161
Parameters related to integral evaluation.