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ACEsuit / ACE.jl

Parameterisation of Equivariant Properties of Particle Systems
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Fuzzy data key matching #9

Closed cortner closed 4 years ago

cortner commented 4 years ago

this was posted in the wrong repository

gabor1 commented 4 years ago

I think we should not do this kind of thing. The user should supply what key is used for energy, force, virial

-- Gábor

On 3 Jul 2020, at 04:21, Christoph Ortner notifications@github.com wrote:

 The current implementation via Levenshtein distance is not sufficiently general. For example,

compare(lowercase("dft_energy"), "energy", Levenshtein()) # -> 0.6 but the requirement is > 0.8. As a result, when importing the Si training set, no observations are found at all.

Two possible ways forward;

return to a list of admissible keys for each observation choose the observation type which best matches the default observation key — You are receiving this because you are subscribed to this thread. Reply to this email directly, view it on GitHub, or unsubscribe.