mirror of https://gitlab.com/scemama/QCaml.git
24 lines
588 B
OCaml
24 lines
588 B
OCaml
type t =
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{
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elec_num : int ; (** Number of electrons *)
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mo_basis : MOBasis.t ; (** MO basis on which the space is built *)
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mo_class : MOClass.t ; (** CI Classes of the MOs *)
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spindets : Spindeterminant.t array ; (** Spin-determinants belonging to the space *)
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}
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val fci_of_mo_basis : ?frozen_core:bool -> MOBasis.t -> int -> t
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(** Create a space of all possible ways to put [n_elec] electrons in the [Active] MOs.
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All other MOs are untouched.
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*)
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(** {2 Printing} *)
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val pp_spindet_space : Format.formatter -> t -> unit
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