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qp2
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Fix warning in OCaml

This commit is contained in:
Anthony Scemama 2023-02-08 13:12:29 +01:00
parent 7763b4b0bd
commit 45e73b10ba
2 changed files with 3 additions and 3 deletions
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2
external/qp2-dependencies vendored

@ -1 +1 @@
Subproject commit 242151e03d1d6bf042387226431d82d35845686a
Subproject commit 9e5b27ce5a174901765cec9db9e7b2aa6170a5de

4
ocaml/Input_nuclei_by_hand.ml
View File

@ -84,7 +84,7 @@ end = struct
Ezfio.get_nuclei_nucl_coord()
|> Ezfio.flattened_ezfio
in
let zero = Point3d.of_string Units.Bohr "0. 0. 0." in
let zero = Point3d.of_string ~units:Units.Bohr "0. 0. 0." in
let result = Array.make nucl_num zero in
for i=0 to (nucl_num-1)
do
@ -218,7 +218,7 @@ Nuclear coordinates in xyz format (Angstroms) ::
and lines = Array.of_list lines
in
List.init (Nucl_number.to_int nucl_num) (fun i ->
Atom.of_string Units.Angstrom lines.(i))
Atom.of_string ~units:Units.Angstrom lines.(i))
end
| _ -> failwith "Error in xyz format"
in