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12 lines
243 B
OCaml
12 lines
243 B
OCaml
open Util
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open Simulation
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let make ?guess simulation =
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if simulation.electrons.Electrons.multiplicity = 1 then
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RHF.make ?guess simulation
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else
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invalid_arg "UHF or ROHF not implemented"
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let to_string = HartreeFock_type.to_string
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