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Generic makers #35

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merged 12 commits into from
Sep 30, 2023
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qchempku2017
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@qchempku2017 qchempku2017 commented Aug 10, 2023

Summary

  • Enable using more types of makers, including makers for CHGNet and M3GNET to compute structures.
  • Enable parsing of computation results from other types of makers, which could be different from VASP results.
  • Upgrade to atomate2 >= 0.0.11.

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@qchempku2017 qchempku2017 self-assigned this Aug 10, 2023
@qchempku2017 qchempku2017 changed the title Generic makers [WIP] Generic makers Aug 10, 2023
@qchempku2017 qchempku2017 marked this pull request as draft August 28, 2023 06:52
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Refer to #58 , this PR might not be able to merge until further atomate2 as automatic pip install versions could fail.

@qchempku2017 qchempku2017 marked this pull request as ready for review September 30, 2023 05:38
@qchempku2017 qchempku2017 changed the title [WIP] Generic makers Generic makers Sep 30, 2023
@qchempku2017 qchempku2017 merged commit e9e683f into CederGroupHub:main Sep 30, 2023
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@qchempku2017 qchempku2017 deleted the generic_makers branch September 30, 2023 05:38
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