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Documentation in qp_create_ezfio_from_xyz.ml
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@ -8,7 +8,7 @@ let spec =
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+> flag "o" (optional string)
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~doc:"file Name of the created EZFIO file."
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+> flag "b" (required string)
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~doc:"definition of basis set."
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~doc:"string Name of basis set."
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+> flag "c" (optional_with_default 0 int)
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~doc:"int Total charge of the molecule. Default is 0."
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+> flag "m" (optional_with_default 1 int)
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