Add lattice constants benchmark #157
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ElliottKasoar
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joehart2001
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Nov 18, 2025
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i think this needs rebasing with the download fix? my downloads all fail
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Ah this wasn't a rebasing issue, just missing a directory in the URL, should be fixed. I've also added docs now, although I may open a separate issue to collate the experimental sources, unless you have them to hand, @joehart2001? |
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Summary
Linked issue
Resolves #94
Progress
Docs will be added after #151 to minimise conflicts.
Testing
Tested on multiple Mace models, Orb, MatterSim, and UMA. I get general agreement with mace models compared to http://mlip-testing.stfc.ac.uk:8050, but slightly different results for Orb (experimental), and UMA.
New decorators/callbacks
None