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EXTXYZ format for MACE POLAR fine tuning #66

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EXTXYZ format for MACE POLAR fine tuning#66
@alvarovm

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@alvarovm
alvarovm
opened on Apr 1, 2026

Hi.
How the extxyz files for fine tuning should MACE POLAR look like? How do we specify the energies and charges for the ionized system?
Thank you,

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