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Package to generate and analyse distorted defect structures, in order to identify ground-state and metastable defect configurations.

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Python package to automatise the process of defect structure searching. It employs chemically-guided bond distortions to locate ground-state and metastable structures of point defects in solid materials. Read the docs for more info.

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shakenbreak-22.9.21.tar.gz (27.4 MB view hashes)

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shakenbreak-22.9.21-py3-none-any.whl (10.8 MB view hashes)

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