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use kind_name as element tag in the xyz file #216

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use kind_name as element tag in the xyz file #216

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Commits on May 13, 2024

  1. use kind_name as atom symbol

    @superstar54
    superstar54 committed May 13, 2024
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  2. update docstring, and write the file directly

    @superstar54
    superstar54 committed May 13, 2024
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  3. fix pre-commit

    @superstar54
    superstar54 committed May 13, 2024
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