From 764801033157abdf459b96a0aa8cbca800a125ae Mon Sep 17 00:00:00 2001
From: Emmanuel Giner <giner.emmanuel@gmail.com>
Date: Mon, 8 Jun 2020 11:55:44 +0200
Subject: [PATCH] fixed another floating point exception in aos_in_r.irp.f

---
 src/ao_basis/aos_in_r.irp.f | 2 ++
 1 file changed, 2 insertions(+)

diff --git a/src/ao_basis/aos_in_r.irp.f b/src/ao_basis/aos_in_r.irp.f
index 7d400222..7fcb980a 100644
--- a/src/ao_basis/aos_in_r.irp.f
+++ b/src/ao_basis/aos_in_r.irp.f
@@ -163,6 +163,8 @@ subroutine give_all_aos_and_grad_at_r(r,aos_array,aos_grad_array)
    accu_2 = 0.d0
    do l = 1,ao_prim_num(k)
     beta = ao_expo_ordered_transp_per_nucl(l,j,i)
+    contrib = 0.d0
+    if(beta*r2.gt.50.d0)cycle
     contrib = ao_coef_normalized_ordered_transp_per_nucl(l,j,i) * dexp(-beta*r2)
     accu_1 += contrib
     accu_2 += contrib * beta