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Update creation of Cluster instances #485

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merged 6 commits into from
Aug 14, 2024

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kamronald
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@kamronald kamronald commented Aug 7, 2024

To handle issue with composition parsing, due to an update to Pymatgen

Summary

Major changes:

Fix creation of Cluster instances, to handle the issues arising in #475 and #480

Todos

Checklist

  • All existing tests pass.
  • Tests have been added for any new features/fixes.
  • Docstrings have been added in the Google docstring format.

To handle issue with composition parsing
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@lbluque lbluque left a comment

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Looks good, thanks @kamronald !

@kamronald kamronald merged commit b818a2a into CederGroupHub:main Aug 14, 2024
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@kamronald kamronald deleted the fix_cluster_gen branch August 14, 2024 05:07
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3 participants