From e163b9aefb5c84ba6d4f750e0f7814e28a08483b Mon Sep 17 00:00:00 2001
From: Anthony Scemama <scemama@irsamc.ups-tlse.fr>
Date: Wed, 20 May 2020 23:51:05 +0200
Subject: [PATCH] Huckel is the default in run_hartree_fock

---
 run_hartree_fock.ml | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/run_hartree_fock.ml b/run_hartree_fock.ml
index 687fc0b..2a9f8df 100644
--- a/run_hartree_fock.ml
+++ b/run_hartree_fock.ml
@@ -54,7 +54,7 @@ let () =
 
   let guess = 
     match Command_line.get "guess" with
-    | None -> `Hcore
+    | None -> `Huckel
     | Some filename ->
       let s_guess = Simulation.of_filenames
           ~charge ~multiplicity ~nuclei:nuclei_file filename in