From c9de28b90340c409ffe1f46738dca77ca06143bc Mon Sep 17 00:00:00 2001
From: eginer <giner.emmanuel@gmail.com>
Date: Fri, 11 Apr 2025 11:18:42 +0200
Subject: [PATCH] fixed bug in Cholesky when too small basis are used

---
 src/ao_two_e_ints/cholesky.irp.f | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/src/ao_two_e_ints/cholesky.irp.f b/src/ao_two_e_ints/cholesky.irp.f
index 36061ef0..5c83cec6 100644
--- a/src/ao_two_e_ints/cholesky.irp.f
+++ b/src/ao_two_e_ints/cholesky.irp.f
@@ -305,7 +305,7 @@ END_PROVIDER
          Qmax = max(Qmax, D(Dset(q)))
        enddo
 
-       if (Qmax <= Dmin) exit
+       if (Qmax < Dmin) exit
 
        ! g.
 
@@ -313,7 +313,7 @@ END_PROVIDER
 
        do j=1,nq
 
-         if ( (Qmax <= Dmin).or.(N+j*1_8 > ndim8) ) exit
+         if ( (Qmax < Dmin).or.(N+j*1_8 > ndim8) ) exit
 
          ! i.
          rank = N+j