Sw/iso17 ready#1

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swyant wants to merge 2 commits intoJuliaLabs:mainfrom

swyant:sw/iso17-ready

Commits on Mar 26, 2025

centering training energies (i.e. subtracting the mean energy) for ISO17 fits
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out-of-core implementation of linear learn, compute descriptors on-the-fly repeatedly for memory saving
swyant
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