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