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pyiron / atomistics Public

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Add calculator for siesta#24

Merged

jan-janssen merged 4 commits intomainpyiron/atomistics:mainfrom siestapyiron/atomistics:siestaCopy head branch name to clipboard

Nov 2, 2023

+1,994

Conversation Commits4 (4)Checks Files changed

Commits

Commits on Nov 2, 2023

Add tests for siesta
jan-janssen
committed
Add test file
jan-janssen
committed
fix pseudo potential path
jan-janssen
committed
update fit validation method
jan-janssen
committed

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