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There should not be any difference in program behavior. Enhance the consistency of code logic

What's changed?

  • Refactor atom_input and unify the fake atom data structure of grid and atom_input.

Any changes of core modules? (ignore if not applicable)

  • refactor neighbor search, atom input class

@goodchong goodchong added the Refactor Refactor ABACUS codes label Nov 20, 2024
@mohanchen mohanchen merged commit fdb405a into deepmodeling:develop Nov 21, 2024
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Fisherd99 pushed a commit to Fisherd99/abacus-BSE that referenced this pull request Mar 31, 2025
…d atom_input (deepmodeling#5546)

* Refactor atom_input and unify the fake atom data structure of grid and atom_input.

* add constructors for atom_input

* [pre-commit.ci lite] apply automatic fixes

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Co-authored-by: pre-commit-ci-lite[bot] <117423508+pre-commit-ci-lite[bot]@users.noreply.github.com>
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