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

deepmodeling / abacus-develop

An electronic structure package based on either plane wave basis or numerical atomic orbitals.

http://abacus.ustc.edu.cn

GNU Lesser General Public License v3.0

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Closed goodchong closed 4 days ago

goodchong commented 5 days ago

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

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