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  • JW

    • Worked on code cleanups, hierarchy metadata, and tests for biopolymer refactor. Hard to figure out where everything should go, still thinking about how something like Topology.from_pdb or from_openmm could recognize both biopolymers AND small molecules.

    • Handled incorrect vsite orentation issue (#1159) with PR 1160. We can make OFFTK 0.10.2 release ASAP.

    • Offline for a few hours Tuesday Jan 4 – Paperwork to do in Irvine

    • Will be working to get Diego up to speed on project management at the end of this week

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