[localization_method]
type: character*(32)
doc: Method for the orbital localization. boys: Foster-Boys, pipek: Pipek-Mezey.
interface: ezfio,provider,ocaml
default: boys

[localization_max_nb_iter]
type: integer
doc: Maximal number of iterations for the orbital localization.
interface: ezfio,provider,ocaml
default: 1000

[localization_use_hessian]
type: logical
doc: If true, it uses the trust region algorithm with the gradient and the diagonal of the hessian. Else it computes the rotation between each pair of MOs that should be applied to maximize/minimize the localization criterion. The last option is not easy to converge. 
interface: ezfio,provider,ocaml
default: true

[auto_mo_class]
type: logical
doc: If true, set automatically the classes.
interface: ezfio,provider,ocaml
default: true

[thresh_loc_max_elem_grad]
type: double precision
doc: Threshold for the convergence, the localization exits when the largest element in the gradient is smaller than thresh_localization_max_elem_grad.
interface: ezfio,provider,ocaml
default: 1.e-6

[kick_in_mos]
type: logical
doc: If True, it applies a rotation of an angle angle_pre_rot between the MOs of a same mo_class before the localization.
interface: ezfio,provider,ocaml
default: true

[angle_pre_rot]
type: double precision
doc: To define the angle for the rotation of the MOs before the localization (in rad).
interface: ezfio,provider,ocaml
default: 0.1

[sort_mos_by_e]
type: logical
doc: If True, the MOs are sorted using the diagonal elements of the Fock matrix.
interface: ezfio,provider,ocaml
default: false

[debug_hf]
type: logical
doc: If True, prints the HF energy before/after the different steps of the localization. Only for debugging.
interface: ezfio,provider,ocaml
default: false