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Fix: Support 3rd-order elastic tensor computation #1213

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Merged
merged 5 commits into from
Aug 15, 2025

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hongyi-zhao
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@hongyi-zhao hongyi-zhao commented Jun 7, 2025

  • Add support for complex tensor structures in ElasticTensorDocument
  • Implement recursive _safe_voigt_to_list() function
  • Fix the 'tolist' error when using order=3 for elastic tensor calculations
  • Maintain backward compatibility for order=2 tensors

Fix the issue reported here: #1212

hongyi-zhao and others added 5 commits June 7, 2025 10:20
- Add support for complex tensor structures in ElasticTensorDocument
- Implement recursive _safe_voigt_to_list() function
- Enable order=3 elastic tensor calculations
- Maintain backward compatibility for order=2 tensors

Resolves issue with 'list' object has no attribute 'tolist' error
@esoteric-ephemera esoteric-ephemera enabled auto-merge (squash) August 15, 2025 16:44
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Thanks @hongyi-zhao!

@esoteric-ephemera esoteric-ephemera merged commit 12ceeb1 into materialsproject:main Aug 15, 2025
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BUG: atomate2 failed to compute the 3rd-order elastic tensor.
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