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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Pydanticv2again #414

Closed loriab closed 11 months ago

loriab commented 11 months ago

iterating on #412 -- I was going to PR to that, but this PR grew, so better to collect comments here.

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codecov[bot] commented 11 months ago

Codecov Report

Merging #414 (cc96816) into master (1887e71) will increase coverage by 0.00%. The diff coverage is 84.61%.

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