Addition of smallMoleculeForceFieldVersion for GAFF and SMIRNOFF
#169
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Initialize CodeQL
CodeQL Action major versions v1 and v2 have been deprecated. Please update all occurrences of the CodeQL Action in your workflow files to v3. For more information, see https://github.blog/changelog/2025-01-10-code-scanning-codeql-action-v2-is-now-deprecated/
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