From 70336a8e2da848998bf3bdf0a18fcc9ec797123f Mon Sep 17 00:00:00 2001
From: Michel Caffarel <caffarel@irsamc.ups-tlse.fr>
Date: Tue, 24 Mar 2020 09:11:56 +0100
Subject: [PATCH] Unique integrals

---
 devel/import_integrals/export_integrals_ao.irp.f | 7 +++++--
 1 file changed, 5 insertions(+), 2 deletions(-)

diff --git a/devel/import_integrals/export_integrals_ao.irp.f b/devel/import_integrals/export_integrals_ao.irp.f
index b192df8..ff59081 100644
--- a/devel/import_integrals/export_integrals_ao.irp.f
+++ b/devel/import_integrals/export_integrals_ao.irp.f
@@ -72,14 +72,17 @@ subroutine run
   close(iunit)
 
   iunit = getunitandopen('W.qp','w')
+
   do l=1,ao_num
     do k=1,ao_num
-      do j=1,ao_num
-        do i=1,ao_num
+      do j=l,ao_num
+        do i=k,ao_num
+         if (i>=j) then
           integral = get_ao_two_e_integral(i,j,k,l,ao_integrals_map)
           if (integral /= 0.d0) then
             write (iunit,'(4(I5,2X),E22.15)') i,j,k,l, integral
           endif
+         endif
         enddo
       enddo
     enddo