From 4e877810da77e03f3fbe135f742c2fd2bcea9bbe Mon Sep 17 00:00:00 2001 From: v1j4y Date: Fri, 15 Oct 2021 14:00:36 +0200 Subject: [PATCH] Initialize local energy. #41 --- org/qmckl_local_energy.org | 1 + 1 file changed, 1 insertion(+) 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