[N_det_max]
type: Det_number_max
doc: Max number of determinants in the wave function
interface: ezfio,provider,ocaml
default: 1000000

[N_det_max_property]
type: Det_number_max
doc: Max number of determinants in the wave function when you select for a given property
interface: ezfio,provider,ocaml
default: 10000

[N_det_max_jacobi]
type: Det_number_max
doc: Maximum number of determinants diagonalized by Jacobi
interface: ezfio,provider,ocaml
default: 2000

[N_states]
type: States_number
doc: Number of states to consider
interface: ezfio,provider,ocaml
default: 1

[read_wf]
type: logical
doc: If true, read the wave function from the EZFIO file
interface: ezfio,provider,ocaml
default: False

[only_single_double_dm]
type: logical
doc: If true, The One body DM is calculated with ignoring the Double<->Doubles extra diag elements
interface: ezfio,provider,ocaml
default: False
 
[s2_eig]
type: logical
doc: Force the wave function to be an eigenfunction of S^2
interface: ezfio,provider,ocaml
default: True

[threshold_generators]
type: Threshold
doc: Thresholds on generators (fraction of the norm) 
interface: ezfio,provider,ocaml
default: 0.99

[threshold_selectors]
type: Threshold
doc: Thresholds on selectors (fraction of the norm) 
interface: ezfio,provider,ocaml
default:        0.999

[n_int]
interface: ezfio
doc: n_int
type: N_int_number

[bit_kind]
interface: ezfio
doc: bit_kind
type: Bit_kind

[mo_label]
interface: ezfio
doc: mo_label
type: character*(64)

[n_det]
interface: ezfio
doc: n_det
type: integer

[psi_coef]
interface: ezfio
doc: psi_coef
type: double precision 
size: (determinants.n_det,determinants.n_states)

[psi_det]
interface: ezfio
doc: psi_det
type: integer*8
size: (determinants.n_int*determinants.bit_kind/8,2,determinants.n_det)

[det_occ]
interface: ezfio,provider
doc: det_occ
type: integer          
size:  (electrons.elec_alpha_num,determinants.n_det,2)

[det_coef]
interface: ezfio,provider
doc: det_coef
type: double precision 
size:  (determinants.n_det)

[expected_s2]
interface: ezfio
doc: Expected value of S^2
type: double precision

[target_energy]
interface: ezfio,provider,ocaml
doc: Energy that should be obtained when truncating the wave function (optional)
type: Energy
default: 0.

[store_full_H_mat]
type: logical
doc: If True, the Davidson diagonalization is performed by storing the full H matrix up to n_det_max_stored. Be careful, it can cost a lot of memory but can also save a lot of CPU time
interface: ezfio,provider,ocaml
default: False

[n_det_max_stored]
type: Det_number_max
doc: Maximum number of determinants for which the full h matrix is stored. be careful, the memory requested scales as 10*n_det_max_stored**2. for instance, 90000 determinants represent a matrix of size 60 Gb.
interface: ezfio,provider,ocaml
default: 90000

[state_average_weight]
type: Strictly_positive_float
doc: Weight of the states in state-average calculations.
interface: ezfio,provider,ocaml
default: 1.
size: (determinants.n_states)