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Documentation in qp_create_ezfio_from_xyz.ml

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Anthony Scemama 2015-01-11 15:31:26 +01:00
parent 555fba503e
commit 8e219949b5
1 changed files with 1 additions and 1 deletions
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ocaml/qp_create_ezfio_from_xyz.ml
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@ -8,7 +8,7 @@ let spec =
+> flag "o" (optional string) +> flag "o" (optional string)
~doc:"file Name of the created EZFIO file." ~doc:"file Name of the created EZFIO file."
+> flag "b" (required string) +> flag "b" (required string)
~doc:"definition of basis set." ~doc:"string Name of basis set."
+> flag "c" (optional_with_default 0 int) +> flag "c" (optional_with_default 0 int)
~doc:"int Total charge of the molecule. Default is 0." ~doc:"int Total charge of the molecule. Default is 0."
+> flag "m" (optional_with_default 1 int) +> flag "m" (optional_with_default 1 int)