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> > It seems to me that line 35 is then wrong, no?
Oh, I see. Yes, indeed index=1 would give the spin density and not the down-component as currently stated. By the way, why two keywords index/spin for the same thing? Wouldn't it not be better to have just one?
Yes, currently this is a left-over from the siesta output.
A think we could investigate is whether index should be used for explicit retrieval (no manipulation), and spin="x" could be used for explicit spin-configuration extraction, or spin=Spin.X.
Yes, currently this is a left-over from the
siesta
output.A think we could investigate is whether
index
should be used for explicit retrieval (no manipulation), andspin="x"
could be used for explicit spin-configuration extraction, orspin=Spin.X
.Probably that should also be stream-lined.
Originally posted by @zerothi in #754 (comment)
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