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Lines 50 to 56 in 2ac67ac
Since kwargs are not passed to run_scf
, so currently it's not possible to pass initial guess, is it?
So I'm wondering which solution is preferred: allow users passing dm0
in as kwargs, or encourage users running mf.mf_s
manually after DH initialized?
An even more flexible implementation could be allow initializing upon mf_or_mol, like
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