38 #ifndef INTEGRALS_2EL_BOXED_HEADER 39 #define INTEGRALS_2EL_BOXED_HEADER int compute_JK_single_box(const BasisInfoStruct &basisInfo, const IntegralInfo &integralInfo, ergo_real *J, ergo_real *K, const ergo_real *dens, ergo_real threshold)
Definition: integrals_2el_boxed.cc:373
Functions for setting up lists of non-negligible basis function pairs, for 2-electron integrals...
double ergo_real
Definition: realtype.h:69
Compressed sparse row (CSR) matrix functionality.
Code for setting up basis functions starting from shells.
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.