diff --git a/src/tc_bi_ortho/slater_tc_opt_diag.irp.f b/src/tc_bi_ortho/slater_tc_opt_diag.irp.f index 7524e11a..00cebf3a 100644 --- a/src/tc_bi_ortho/slater_tc_opt_diag.irp.f +++ b/src/tc_bi_ortho/slater_tc_opt_diag.irp.f @@ -88,7 +88,7 @@ subroutine diag_htilde_mu_mat_fock_bi_ortho(Nint, det_in, hmono, htwoe, hthree, call a_tc_operator ( occ_hole (i,ispin), ispin, det_tmp, hmono,htwoe,hthree, Nint,na,nb) enddo enddo - htot = hmono+htwoe+hthree + htot = hmono+htwoe+hthree+nuclear_repulsion end subroutine ac_tc_operator(iorb,ispin,key,hmono,htwoe,hthree,Nint,na,nb)