10
1
mirror of https://gitlab.com/scemama/QCaml.git synced 2024-12-22 12:23:31 +01:00
QCaml/SCF/Guess.mli

14 lines
193 B
OCaml
Raw Normal View History

2018-05-31 16:46:45 +02:00
(** Guess for Hartree-Fock calculations. *)
type guess =
| Hcore of Lacaml.D.Mat.t
| Huckel of Lacaml.D.Mat.t
type t = guess
val make : guess:[ `Hcore | `Huckel ] -> Simulation.t -> t