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Refactor atom_input and unify the fake atom data structure of grid and atom_input #5546

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merged 3 commits into from
Nov 21, 2024

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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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