From de9ad72f8b552770f0bde49fff842eb3e9874eca Mon Sep 17 00:00:00 2001
From: Anthony Scemama <scemama@irsamc.ups-tlse.fr>
Date: Fri, 24 Oct 2014 12:43:23 +0200
Subject: [PATCH] Bug in molecule creation corrected

---
 ocaml/Makefile    | 2 +-
 ocaml/Molecule.ml | 2 +-
 2 files changed, 2 insertions(+), 2 deletions(-)

diff --git a/ocaml/Makefile b/ocaml/Makefile
index 1e9c514a..82838cee 100644
--- a/ocaml/Makefile
+++ b/ocaml/Makefile
@@ -23,7 +23,7 @@ ALL_EXE=$(patsubst %.ml,%.native,$(wildcard qp_*.ml))
 
 default: $(ALL_TESTS) $(ALL_EXE)
 
-executables: $(ALL_EXE)
+executables: 
 	$(MAKE) -C $(QPACKAGE_ROOT)/data executables
 
 %.inferred.mli: $(MLFILES)
diff --git a/ocaml/Molecule.ml b/ocaml/Molecule.ml
index 5454d8db..7592b85a 100644
--- a/ocaml/Molecule.ml
+++ b/ocaml/Molecule.ml
@@ -90,7 +90,7 @@ let of_xyz_string
         elec_alpha=(Elec_alpha_number.of_int 1) ;
         elec_beta=(Elec_beta_number.of_int 0) } 
       |> Charge.to_int 
-      ) - 1 - charge 
+      ) + 1 - charge 
       |> Elec_number.of_int 
   in
   let (na,nb) = Multiplicity.to_alpha_beta ne multiplicity in