Initialize energy array (cp2k#3461)

hfp · Jun 11, 2024 · 417e363 · 417e363
1 parent 4261cd5
commit 417e363
Showing 1 changed file with 1 addition and 0 deletions.
diff --git a/src/qs_energy_utils.F b/src/qs_energy_utils.F
@@ -258,6 +258,7 @@ SUBROUTINE qs_energies_mulliken(qs_env)
              .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)