From 22e281560e290ef9b462b180b3ebcf11557761cc Mon Sep 17 00:00:00 2001
From: Anthony Scemama <scemama@irsamc.ups-tlse.fr>
Date: Thu, 17 Feb 2022 15:37:57 +0100
Subject: [PATCH] Accelerate AOs in HPC

---
 org/qmckl_ao.org | 7 +++----
 1 file changed, 3 insertions(+), 4 deletions(-)

diff --git a/org/qmckl_ao.org b/org/qmckl_ao.org
index 4007e5b..91dfe05 100644
--- a/org/qmckl_ao.org
+++ b/org/qmckl_ao.org
@@ -5246,6 +5246,7 @@ qmckl_compute_ao_vgl_hpc (
   #pragma omp parallel 
 #endif
   {
+    qmckl_exit_code rc;
     double c_[prim_num];
     double expo_[prim_num];
     double ar2[prim_num];
@@ -5253,8 +5254,7 @@ qmckl_compute_ao_vgl_hpc (
     double  poly_vgl_l1[4][4] = {{1.0, 0.0, 0.0, 0.0},
                                 {0.0, 1.0, 0.0, 0.0},
                                 {0.0, 0.0, 1.0, 0.0},
-                                {0.0, 0.0, 0.0, 1.0},
-                                {0.0, 0.0, 0.0, 0.0}};
+                                {0.0, 0.0, 0.0, 1.0}};
     double  poly_vgl_l2[5][10] = {{1., 0., 0., 0., 0., 0., 0., 0., 0., 0.}, 
                                   {0., 1., 0., 0., 0., 0., 0., 0., 0., 0.}, 
                                   {0., 0., 1., 0., 0., 0., 0., 0., 0., 0.},
@@ -5319,8 +5319,7 @@ qmckl_compute_ao_vgl_hpc (
             break;
 
           default:
-              const qmckl_exit_code rc = 
-                qmckl_ao_polynomial_transp_vgl_hpc(context, e_coord, n_coord, 
+              rc = qmckl_ao_polynomial_transp_vgl_hpc(context, e_coord, n_coord, 
                                                    nucleus_max_ang_mom[inucl],
                                                    &n_poly, powers, (int64_t) 3, 
                                                    &(poly_vgl[0][0]), size_max);