mirror of https://gitlab.com/scemama/QCaml.git
22 lines
530 B
OCaml
22 lines
530 B
OCaml
(** Read a basis set file in GAMESS format and return an association list where the key is an
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Element.t and the value is the parsed basis set. *)
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let read ~filename =
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let lexbuf =
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let ic = open_in filename in
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Lexing.from_channel ic
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in
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let rec aux accu =
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try
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let element, basis =
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Gamess_parser.input Basis_lexer.read_all lexbuf
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in
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let key =
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Element.of_string element
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in
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aux ((key, basis)::accu)
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with
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| Parsing.Parse_error -> List.rev accu
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in
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aux []
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