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QCaml/particles/lib/xyz_ast.mli
2021-01-01 16:39:33 +01:00

23 lines
431 B
OCaml

(* When an xyz file is read by =xyz_parser.mly=, it is converted into
* an ~xyz_file~ data structure. *)
(* [[file:~/QCaml/particles/nuclei.org::*Parser][Parser:2]] *)
open Common
type nucleus =
{
element: Element.t ;
coord : Coordinate.angstrom Coordinate.point;
}
type xyz_file =
{
number_of_atoms : int ;
file_title : string ;
nuclei : nucleus list ;
}
(* Parser:2 ends here *)