Fix recharge compatibility#321
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# Conflicts: # src/recharge_io.py # studies/025_openff_recharge/targets.tar.gz
leeping
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Jun 5, 2026
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Thank you, Lily and Matt! |
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This PR fixes recharge compatibility.
Note -- recharge_io.py only works for BCC's (and has only ever worked for them) -- it does not work for training virtual sites (or any FF that has vsites with charges, even if they're not trained). I added an error for that case.
The main changes are:
mastermay have been generated with numpy v2, either way I needed to regenerate for v1 compatibilityCI is failing for a couple reasons: