diff --git a/CI/Determinant_space.ml b/CI/Determinant_space.ml index 6de4d7c..aa55036 100644 --- a/CI/Determinant_space.ml +++ b/CI/Determinant_space.ml @@ -150,15 +150,15 @@ let fci_of_mo_basis ?(frozen_core=true) mo_basis = let det_alfa = Ss.spin_determinants det_a and det_beta = Ss.spin_determinants det_b in + Spin (det_alfa, det_beta) (* - in Spin (det_alfa, det_beta) - *) let n_det_beta = Array.length det_beta in Arbitrary { det_alfa ; det_beta ; det = Array.make (Array.length det_alfa) (Array.init (Array.length det_beta) (fun i -> i)); index_start = Array.mapi (fun i _ -> i*n_det_beta) det_alfa; } + *) in { n_alfa ; n_beta ; mo_class ; mo_basis ; determinants }