diff --git a/org/qmckl_trexio.org b/org/qmckl_trexio.org index ee976b5..8ca99f1 100644 --- 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;