diff --git a/org/qmckl_local_energy.org b/org/qmckl_local_energy.org index 802fa2a..22df37e 100644 --- a/org/qmckl_local_energy.org +++ b/org/qmckl_local_energy.org @@ -1219,6 +1219,7 @@ integer function qmckl_compute_local_energy_f(context, walk_num, & return endif + e_local = 0.0d0 do iwalk = 1, walk_num e_local(iwalk) = e_local(iwalk) + e_kin(iwalk) + e_pot(iwalk) end do