type t = Contracted_shell.t array (** Returns an array of the basis set per atom *) val of_nuclei_and_general_basis : Nuclei.t -> General_basis.t list -> t (** Pretty prints the basis set in a string *) val to_string : t -> string (** Mutates the state of the file variable to Some f. Required for command-line interface. *) val set_file : string -> unit (** Basis set file read and parsed. Requires the set_file function to have been called before. *) val general_basis : (Element.t * General_basis.general_contracted_shell array) list lazy_t (** Global variable which sets the basis set of the current run. Lazy evaluated from the nuclear coordinates (Nuclei.nuclei) and the basis set file (general_basis). The set_file function has to be called before the basis is used. *) val basis : Contracted_shell.t array lazy_t