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QCaml/Basis/GamessReader.ml

18 lines
362 B
OCaml

(** Reads a basis set in GAMESS format *)
let read_basis filename =
let lexbuf =
let ic = open_in filename in
Lexing.from_channel ic
in
let rec aux accu =
try
let key, basis =
GamessParser.input BasisLexer.read_all lexbuf
in
aux ((key, basis)::accu)
with
| Parsing.Parse_error -> List.rev accu
in
aux []