From cbad838a341ab98e1f6397951553d47caa9154a3 Mon Sep 17 00:00:00 2001
From: Antoine MARIE <amarie@irsamc.ups-tlse.fr>
Date: Tue, 25 Feb 2025 16:06:01 +0100
Subject: [PATCH] increase hard coded max rank of cholesky for ao_two_e_int

---
 src/ao_two_e_ints/cholesky.irp.f | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/src/ao_two_e_ints/cholesky.irp.f b/src/ao_two_e_ints/cholesky.irp.f
index d15ebdc3..36061ef0 100644
--- a/src/ao_two_e_ints/cholesky.irp.f
+++ b/src/ao_two_e_ints/cholesky.irp.f
@@ -178,7 +178,7 @@ END_PROVIDER
      rank_max = np
      ! Avoid too large arrays when there are many electrons
      if (elec_num > 10) then
-       rank_max = min(np,20*elec_num*elec_num)
+       rank_max = min(np,25*elec_num*elec_num)
      endif
 
      call mmap_create_d('', (/ ndim8, rank_max /), .False., .True., map)