39#ifndef INTEGRALS_1EL_SINGLE_HEADER
40#define INTEGRALS_1EL_SINGLE_HEADER
Code for setting up basis functions starting from shells.
Contains coefficients needed for quick integral evaluation.
Definition integral_info.h:94
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
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)
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
double ergo_real
Definition realtype.h:69
Definition basisinfo.h:50