38 #ifndef INTEGRALS_2EL_K_KERNEL_HEADER 39 #define INTEGRALS_2EL_K_KERNEL_HEADER 56 int interactionWithSelf,
59 int use_multipole_screening_for_clusters,
double ergo_real
Definition: realtype.h:69
Code for various utilities used by 2-electron integral computation (i.e.
Compressed sparse row (CSR) matrix functionality.
int get_K_contribs_from_2_interacting_boxes(const IntegralInfo &integralInfo, const JK::ExchWeights &CAM_params, int maxNoOfMonomials, csr_matrix_struct *K_CSR_shared, ResultMatContrib *resultMatContrib, const csr_matrix_struct *dens_CSR, int symmetryFlag, const distr_org_struct &distr_org_struct_1, const distr_org_struct &distr_org_struct_2, int interactionWithSelf, ergo_real threshold, JK_contribs_buffer_struct *bufferStructPtr, int use_multipole_screening_for_clusters, ergo_real boxDistance)
Definition: integrals_2el_K_kernel.cc:96
Code for organizing a given set of primitive Gaussian distributions (typically coming from basis func...
Definition: integral_info.h:147
Contains coefficients needed for quick integral evaluation.
Definition: integral_info.h:93
Definition: csr_matrix.h:50
Defines IntegralInfo object, providing the coefficients needed for integral evaluation.
Definition: organize_distrs.h:121
Definition: integrals_2el_utils.h:52
Definition: integrals_2el_utils.h:85