MolSSI / QCEngine

Quantum chemistry program executor and IO standardizer (QCSchema).

https://molssi.github.io/QCEngine/

BSD 3-Clause "New" or "Revised" License

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Release v0.23.0 changelog update #352

Closed dotsdl closed 2 years ago

codecov[bot] commented 2 years ago

Codecov Report

Merging #352 (fa7c3fc) into master (2dff41f) will not change coverage. The diff coverage is n/a.

loriab commented 2 years ago

I had wanted to get the turbomole Hessian correction (#349) and the cleanups (#350) in, but I didn’t communicate that well, and I haven’t been able to give them the review attention needed. and I don’t want to hold up openff, so please go ahead @dotsdl . apologies, @coltonbh and @eljost .

dotsdl commented 2 years ago

Thanks @loriab! Merging and cutting release!