mirror of
https://github.com/LCPQ/quantum_package
synced 2024-06-21 20:52:18 +02:00
26 lines
544 B
OCaml
26 lines
544 B
OCaml
open Core.Std;;
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open Qptypes;;
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let test_prim () =
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let p =
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{ Primitive.sym = Symmetry.P ;
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Primitive.expo = Positive_float.of_float 0.15} in
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Primitive.to_string p
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|> print_string
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;;
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let test_gto () =
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let in_channel = open_in "/home/scemama/quantum_package/data/basis/cc-pVDZ" in
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ignore (input_line in_channel);
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let gto = Gto.read_one in_channel in
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print_string (Gto.to_string gto);
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let gto = Gto.read_one in_channel in
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print_string (Gto.to_string gto);
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;;
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let test_module () =
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test_gto()
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;;
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test_module ();;
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