Fix qmckl setuper

sissaschool · Jan 24, 2024 · 8d9cdb3 · 8d9cdb3
1 parent 4b5d414
commit 8d9cdb3
Showing 1 changed file with 1 addition and 1 deletion.
diff --git a/src/m_common/qmckl.f90 b/src/m_common/qmckl.f90
@@ -29,7 +29,7 @@ subroutine setup_qmckl_ctx(&
 
     integer*4                      :: ii, jj, kk, ll, mm, count
 
-    integer*4                      :: shell_types_(number_of_atoms)
+    integer*4                      :: shell_types_(number_of_shells)
     integer*8                      :: primitive_numbers_(number_of_shells)
     integer*8                      :: primitive_to_shell_(number_of_shells)
     integer*8                      :: ao_factor_number_