From 2c33bca408aaca9003d2af93c8ba63721cefcb88 Mon Sep 17 00:00:00 2001
From: Emmanuel Giner <giner.emmanuel@gmail.com>
Date: Wed, 28 Oct 2020 11:24:32 +0100
Subject: [PATCH] minor changes

---
 src/dft_utils_in_r/ao_in_r.irp.f | 14 ++++++++++++++
 1 file changed, 14 insertions(+)

diff --git a/src/dft_utils_in_r/ao_in_r.irp.f b/src/dft_utils_in_r/ao_in_r.irp.f
index 2892d2e2..6abda550 100644
--- a/src/dft_utils_in_r/ao_in_r.irp.f
+++ b/src/dft_utils_in_r/ao_in_r.irp.f
@@ -120,4 +120,18 @@
  !$OMP END PARALLEL DO
  END_PROVIDER
 
+ BEGIN_PROVIDER[double precision, aos_grad_in_r_array_transp_bis, (n_points_final_grid,ao_num,3)]
+ implicit none
+ integer :: i,j,m
+ double precision :: aos_array(ao_num), r(3)
+ double precision :: aos_grad_array(3,ao_num)
+ do m = 1, 3
+  do j = 1, ao_num
+   do i = 1, n_points_final_grid
+    aos_grad_in_r_array_transp_bis(i,j,m) = aos_grad_in_r_array(j,i,m)
+   enddo
+  enddo
+ enddo
+ END_PROVIDER
+