From 952ca05bf0578697cd360e8f054630467f566527 Mon Sep 17 00:00:00 2001 From: Anthony Scemama Date: Wed, 15 Nov 2023 13:20:30 +0100 Subject: [PATCH] Fix previous commit --- org/qmckl_trexio.org | 3 +++ 1 file changed, 3 insertions(+) diff --git a/org/qmckl_trexio.org b/org/qmckl_trexio.org index ee976b5f..8ca99f10 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;