Fix previous commit

TREX-CoE · Nov 15, 2023 · 952ca05 · 952ca05
1 parent f1764a5
commit 952ca05
Showing 1 changed file with 3 additions and 0 deletions.
diff --git a/org/qmckl_trexio.org b/org/qmckl_trexio.org
@@ -659,6 +659,9 @@ qmckl_trexio_read_ao_X(qmckl_context context, trexio_t* const file)
     qmckl_free(context, tmp_array);
     tmp_array = NULL;
 
+    /* Store data */
+    rc = qmckl_set_ao_basis_shell_prim_num(context, shell_prim_num, shell_num);
+
     qmckl_free(context, shell_prim_num);
     shell_prim_num = NULL;