mirror of https://gitlab.com/scemama/QCaml.git
18 lines
350 B
OCaml
18 lines
350 B
OCaml
(** Electronic kinetic energy integrals, expressed as a matrix in a {Basis.t}.
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{%
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$$
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T_{ij} = \left \langle \chi_i \left| -\frac{1}{2} \Delta \right| \chi_j \right \rangle
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$$
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%}
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*)
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type t = Lacaml.D.Mat.t
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val of_basis : Basis.t -> t
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(** Build from a {Basis.t}. *)
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val to_file : filename:string -> t -> unit
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(** Write the integrals in a file. *)
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