39 #ifndef INTEGRALS_1EL_SINGLE_HEADER 40 #define INTEGRALS_1EL_SINGLE_HEADER double ergo_real
Definition: realtype.h:69
std::vector< ergo_real > do_1e_repulsion_integral_derivatives_using_symb_info(const DistributionSpecStruct *psi, ergo_real pointCharge, const ergo_real *pointChargeCoords, const IntegralInfo &integralInfo)
Definition: integrals_1el_single.cc:113
Code for setting up basis functions starting from shells.
ergo_real do_1e_repulsion_integral_list_using_symb_info(DistributionSpecStruct *psi, const ergo_real *pointChargeList, const ergo_real *pointChargeCoordsList, int noOfPointCharges, const IntegralInfo &integralInfo)
Definition: basisinfo.h:50
Contains coefficients needed for quick integral evaluation.
Definition: integral_info.h:93
ergo_real do_1e_repulsion_integral_using_symb_info(const DistributionSpecStruct &psi, ergo_real pointCharge, const ergo_real *pointChargeCoords, const IntegralInfo &integralInfo)
Definition: integrals_1el_single.cc:189