Fix OpenFF option in small_molecule_parameterizer - #512
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RagnarB83 merged 1 commit intoAug 6, 2026
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The openff_file argument was never passed to SMIRNOFFTemplateGenerator, so forcefield_option="OpenFF" crashed with "A SMIRNOFF force field name, path, file object, or XML string must be provided". This passes it through, like the GAFF branch does with gaffversion. Tested on isobutyraldehyde.