mirror of
https://gitlab.com/scemama/QCaml.git
synced 2024-08-30 16:23:41 +02:00
Work in progress
This commit is contained in:
parent
ce49b45449
commit
53cdb6f528
@ -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 }
|
||||
|
||||
|
Loading…
Reference in New Issue
Block a user