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Define MLFF Enum to ensure consistent force field names #729

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merged 6 commits into from
Feb 18, 2024
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@janosh janosh commented Feb 18, 2024

Also support mace-torch in force field schema provenance for pkg version

@janosh janosh added enhancement Improvements to existing features mlff labels Feb 18, 2024
@janosh janosh merged commit eb6c547 into main Feb 18, 2024
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@janosh janosh deleted the ff-enum branch February 18, 2024 15:43
@janosh janosh added forcefields Forcefield related and removed mlff labels Mar 6, 2024
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