From b4b8a01be308689f9088e652149d65fefbbc2ebf Mon Sep 17 00:00:00 2001
From: Anthony Scemama <scemama@irsamc.ups-tlse.fr>
Date: Wed, 6 Apr 2016 21:23:26 +0200
Subject: [PATCH] Corrected libint bug

---
 ocaml/Basis.ml                          | 6 ++----
 plugins/Hartree_Fock/debug_libint.irp.f | 2 +-
 2 files changed, 3 insertions(+), 5 deletions(-)

diff --git a/ocaml/Basis.ml b/ocaml/Basis.ml
index c2675c57..869fb132 100644
--- a/ocaml/Basis.ml
+++ b/ocaml/Basis.ml
@@ -60,10 +60,8 @@ let to_string_gamess =
     to_string_general ~fmt:Gto.Gamess ~atom_sep:""
 
 let to_string_gaussian b =
-  String.concat ~sep:"\n" [ "****" ;
-    to_string_general ~fmt:Gto.Gaussian ~atom_sep:"****" b ;
-    "****"
-  ]
+  String.concat ~sep:"\n"
+  [ to_string_general ~fmt:Gto.Gaussian ~atom_sep:"****" b ; "****" ]
 
 let to_string ?(fmt=Gto.Gamess) =
   match fmt with
diff --git a/plugins/Hartree_Fock/debug_libint.irp.f b/plugins/Hartree_Fock/debug_libint.irp.f
index 14bfb33b..7984d62c 100644
--- a/plugins/Hartree_Fock/debug_libint.irp.f
+++ b/plugins/Hartree_Fock/debug_libint.irp.f
@@ -87,6 +87,7 @@
                            ref = ao_bielec_integral(bf1,bf2,bf3,bf4)
    
 
+                           if ( (ABS(ABS(ref) - ABS(libint)) >= 1.e-6) )  THEN
                               print*, bf1,bf2,bf3,bf4
                               print*,"r", ref
                               print*,"l", libint
@@ -94,7 +95,6 @@
                               print*,"l/r", libint/ref
                               print*,"n", norm
 
-                           if ( (ABS(ABS(ref) - ABS(libint)) >= 1.e-6) )  THEN
                               call exit(1)
                            end if