From 417e363ffeececa1c81a410b0eabc50c0ca99bdd Mon Sep 17 00:00:00 2001
From: Juerg Hutter <hutter@chem.uzh.ch>
Date: Tue, 11 Jun 2024 15:22:13 +0200
Subject: [PATCH] Initialize energy array (#3461)

---
 src/qs_energy_utils.F | 1 +
 1 file changed, 1 insertion(+)

diff --git a/src/qs_energy_utils.F b/src/qs_energy_utils.F
index eb866c73a2..87c2c92039 100644
--- a/src/qs_energy_utils.F
+++ b/src/qs_energy_utils.F
@@ -258,6 +258,7 @@ CONTAINS
              .NOT. dft_control%qs_control%dftb) THEN
             CALL get_qs_env(qs_env=qs_env, natom=natom)
             ALLOCATE (atcore(natom))
+            atcore = 0.0_dp
             ALLOCATE (core_mat(1))
             ALLOCATE (core_mat(1)%matrix)
             CALL dbcsr_create(core_mat(1)%matrix, template=matrix_h(1)%matrix)