(* Type * * <<<~Gaussian_basis.t~>>> * #+NAME: types *) (* [[file:~/QCaml/ao/basis_gaussian.org::types][types]] *) open Common open Particles open Linear_algebra open Gaussian_integrals open Operators type t (* types ends here *) (* Access *) (* [[file:~/QCaml/ao/basis_gaussian.org::*Access][Access:1]] *) val basis : t -> Gaussian.Basis.t val cartesian : t -> bool val ee_ints : t -> Eri.t val ee_lr_ints : t -> Eri_long_range.t val eN_ints : t -> Electron_nucleus.t val f12_ints : t -> F12.t val f12_over_r12_ints : t -> Screened_eri.t val kin_ints : t -> Kinetic.t val multipole : t -> Multipole.t val ortho : t -> Orthonormalization.t val overlap : t -> Overlap.t val size : t -> int (* Access:1 ends here *) (* Computation *) (* [[file:~/QCaml/ao/basis_gaussian.org::*Computation][Computation:1]] *) val values : t -> Coordinate.t -> Gaussian.Basis.t Vector.t (* Computation:1 ends here *) (* Creation *) (* [[file:~/QCaml/ao/basis_gaussian.org::*Creation][Creation:1]] *) val make : basis:Gaussian.Basis.t -> ?operators:Operator.t list -> ?cartesian:bool -> Nuclei.t -> t (* Creation:1 ends here *) (* Printers *) (* [[file:~/QCaml/ao/basis_gaussian.org::*Printers][Printers:1]] *) val pp : Format.formatter -> t -> unit (* Printers:1 ends here *)