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Update paper branch #7

Merged
merged 32 commits into from
Aug 19, 2024
Merged

Update paper branch #7

merged 32 commits into from
Aug 19, 2024

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kmlefran
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Merge in docs and other updates from main to get latest package in paper branch

kmlefran and others added 30 commits July 15, 2024 14:45
Implement Workchain Tests
Update documentation format and content
Remove aiida-aimall version of aiida-gaussian
Expand documentation significantly
Add SMILES, and xyz_file as possible inputs for GaussianToAIMWorkchain and SubstituentParameterWorkchain
@kmlefran kmlefran merged commit 80fc6d8 into paper Aug 19, 2024
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