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Csse pyd2 moltesting#355

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loriab wants to merge 7 commits intoMolSSI:next2024MolSSI/QCElemental:next2024from loriab:csse_pyd2_moltestingloriab/QCElemental:csse_pyd2_moltestingCopy head branch name to clipboard

+419-106

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Commits on Oct 7, 2024

• further equalize return btwn v1 and v2

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Commits on Oct 8, 2024

• molecule.extras default

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• avoid pubchem error

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• add docs, fix warnings

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• ok move back a few

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Commits on Oct 9, 2024

• part of mol testing

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• more mol testing

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