mirror of
https://github.com/LCPQ/quantum_package
synced 2024-08-25 05:51:46 +02:00
35 lines
702 B
OCaml
35 lines
702 B
OCaml
open Core.Std;;
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type t = Gto.t list;;
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(** Read all the basis functions of an element *)
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let read in_channel =
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let rec read result =
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try
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let gto = Gto.read_one in_channel in
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read (gto::result)
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with
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| Gto.End_Of_Basis -> List.rev result
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in read []
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;;
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(** Find an element in the basis set file *)
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let find in_channel element =
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let element_read = ref Element.X in
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while !element_read <> element
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do
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let buffer = input_line in_channel in
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try
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element_read := Element.of_string buffer
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with
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| Element.ElementError _ -> ()
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done ;
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!element_read
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;;
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let read_element in_channel element =
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ignore (find in_channel element) ;
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read in_channel ;
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;;
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