Lines Matching refs:ifirst

78           size_t ifirst, ilast;  in radial_integral()  local
79 radial.get_idx(iel,ifirst,ilast); in radial_integral()
80 Orad.submat(ifirst,ifirst,ilast,ilast)+=radial.radial_integral(Rexp,iel); in radial_integral()
99 size_t ifirst, ilast; in kinetic() local
100 radial.get_idx(iel,ifirst,ilast); in kinetic()
101 Trad.submat(ifirst,ifirst,ilast,ilast)+=radial.kinetic(iel); in kinetic()
116 size_t ifirst, ilast; in kinetic_l() local
117 radial.get_idx(iel,ifirst,ilast); in kinetic_l()
118 Trad_l.submat(ifirst,ifirst,ilast,ilast)+=radial.kinetic_l(iel); in kinetic_l()
137 size_t ifirst, ilast; in nuclear() local
138 radial.get_idx(iel,ifirst,ilast); in nuclear()
139 Vrad.submat(ifirst,ifirst,ilast,ilast)+=radial.radial_integral(-1,iel); in nuclear()
153 size_t ifirst, ilast; in model_potential() local
154 radial.get_idx(iel,ifirst,ilast); in model_potential()
155 Vrad.submat(ifirst,ifirst,ilast,ilast)+=radial.model_potential(pot,iel); in model_potential()
301 size_t ifirst, ilast; in coulomb() local
302 radial.get_idx(iel,ifirst,ilast); in coulomb()
305 J.submat(ifirst,ifirst,ilast,ilast)+=jbig*iint; in coulomb()
310 size_t ifirst, ilast; in coulomb() local
311 radial.get_idx(iel,ifirst,ilast); in coulomb()
314 J.submat(ifirst,ifirst,ilast,ilast)+=jsmall*iint; in coulomb()
320 size_t ifirst=jfirst; in coulomb() local
331 J.submat(ifirst,ifirst,ilast,ilast)+=Jsub; in coulomb()
447 size_t ifirst, ilast; in exchange() local
448 radial.get_idx(iel,ifirst,ilast); in exchange()
456 size_t Ni(ilast-ifirst+1); in exchange()
472 … Ksub=prim_ktei[Nel*Nel*L + iel*Nel + jel]*arma::vectorise(P_L.submat(ifirst,jfirst,ilast,jlast)); in exchange()
476 K.slice(lout).submat(ifirst,jfirst,ilast,jlast)-=Ksub; in exchange()
485 Psub=P_L.submat(ifirst,jfirst,ilast,jlast); in exchange()
496 K.slice(lout).submat(ifirst,jfirst,ilast,jlast)-=Ksub; in exchange()
615 size_t ifirst, ilast; in rs_exchange() local
616 radial.get_idx(iel,ifirst,ilast); in rs_exchange()
624 size_t Ni(ilast-ifirst+1); in rs_exchange()
640 … Ksub=rs_ktei[Nel*Nel*L + iel*Nel + jel]*arma::vectorise(P_L.submat(ifirst,jfirst,ilast,jlast)); in rs_exchange()
644 K.slice(lout).submat(ifirst,jfirst,ilast,jlast)-=Ksub; in rs_exchange()
653 Psub=P_L.submat(ifirst,jfirst,ilast,jlast); in rs_exchange()
664 K.slice(lout).submat(ifirst,jfirst,ilast,jlast)-=Ksub; in rs_exchange()
701 size_t ifirst, ilast; in bf_list() local
702 radial.get_idx(iel,ifirst,ilast); in bf_list()
704 size_t Nr(ilast-ifirst+1); in bf_list()
709 idx(j)=ifirst+j; in bf_list()
762 size_t ifirst, ilast; in coulomb_screening() local
763 radial.get_idx(iel,ifirst,ilast); in coulomb_screening()
765 arma::mat Psub(Prad.submat(ifirst,ifirst,ilast,ilast)); in coulomb_screening()
785 size_t ifirst, ilast; in coulomb_screening() local
786 radial.get_idx(iel,ifirst,ilast); in coulomb_screening()
787 arma::vec Pv(arma::vectorise(Prad.submat(ifirst,ifirst,ilast,ilast))); in coulomb_screening()
836 size_t ifirst, ilast; in orbitals() local
837 radial.get_idx(iel,ifirst,ilast); in orbitals()
839 arma::mat Csub(C.rows(ifirst,ilast)); in orbitals()
864 size_t ifirst, ilast; in electron_density() local
865 radial.get_idx(iel,ifirst,ilast); in electron_density()
867 arma::mat Psub(Prad.submat(ifirst,ifirst,ilast,ilast)); in electron_density()
888 size_t ifirst, ilast; in electron_density_gradient() local
889 radial.get_idx(iel,ifirst,ilast); in electron_density_gradient()
891 arma::mat Psub(Prad.submat(ifirst,ifirst,ilast,ilast)); in electron_density_gradient()
917 size_t ifirst, ilast; in electron_density_laplacian() local
918 radial.get_idx(iel,ifirst,ilast); in electron_density_laplacian()
920 arma::mat Psub(Prad.submat(ifirst,ifirst,ilast,ilast)); in electron_density_laplacian()