2018-03-03 22:13:14 +01:00
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2020-12-29 18:06:54 +01:00
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(* When an xyz file is read by =xyz_parser.mly=, it is converted into
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* an ~xyz_file~ data structure. *)
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2021-01-01 16:39:33 +01:00
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(* [[file:~/QCaml/particles/nuclei.org::*Parser][Parser:2]] *)
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2020-10-09 09:47:57 +02:00
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open Common
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2020-09-26 12:02:53 +02:00
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2018-02-13 17:36:25 +01:00
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type nucleus =
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{
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element: Element.t ;
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2019-06-18 14:29:57 +02:00
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coord : Coordinate.angstrom Coordinate.point;
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2018-02-13 17:36:25 +01:00
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}
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type xyz_file =
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{
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2018-03-03 22:13:14 +01:00
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number_of_atoms : int ;
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file_title : string ;
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nuclei : nucleus list ;
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2018-02-13 17:36:25 +01:00
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}
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2020-12-29 18:06:54 +01:00
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(* Parser:2 ends here *)
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