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load_potential needs to look in "IP" component of top level dict #49

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bernstei opened this issue Nov 18, 2022 · 2 comments
Open

load_potential needs to look in "IP" component of top level dict #49

bernstei opened this issue Nov 18, 2022 · 2 comments

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@bernstei
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It appears that load_potential doesn't know that the top level dict in the saved json is contains 2 parts, the actual IP and the info, and only pass the IP part to read_dict

ACE1.jl/src/fio.jl

Line 38 in 4b9fb34

return read_dict(D)

@bernstei
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bernstei commented Dec 3, 2022

Anyone on this at all? @cortner can you suggest anyone who can deal with this?

@cortner
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cortner commented Jan 20, 2023

I wonder whether this kind of heuristic needs to be in ACE1pack rather than ACE1. This is maybe a discussion for a near-future meeting: where are the boundaries?

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@bernstei @cortner