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Huckel is the default in run_hartree_fock
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@ -54,7 +54,7 @@ let () =
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let guess =
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match Command_line.get "guess" with
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| None -> `Hcore
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| None -> `Huckel
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| Some filename ->
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let s_guess = Simulation.of_filenames
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~charge ~multiplicity ~nuclei:nuclei_file filename in
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