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Update geomopt option names #159

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merged 1 commit into from
Nov 18, 2024
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ElliottKasoar
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Resolves #158

Replaces fully_opt with opt_cell_fully, and vectors_only with opt_cell_lengths everywhere I could find them. Tests seem to be fixed, and the tutorial notebook now runs successfully.

@ElliottKasoar ElliottKasoar added bug Something isn't working aiida-mlip labels Oct 17, 2024
@ElliottKasoar ElliottKasoar self-assigned this Oct 17, 2024
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Looks sensible

@ElliottKasoar ElliottKasoar merged commit 255220d into stfc:main Nov 18, 2024
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@ElliottKasoar ElliottKasoar deleted the update-geomopt branch November 18, 2024 14:44
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Error from test_run_opt
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