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Refactor: Remove useless variables from read_pp.h. #4711

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merged 5 commits into from
Jul 16, 2024

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  • Have you linked an issue with this pull request?
  • Have you added adequate unit tests and/or case tests for your pull request?
  • Have you noticed possible changes of behavior below or in the linked issue?
  • Have you explained the changes of codes in core modules of ESolver, HSolver, ElecState, Hamilt, Operator or Psi? (ignore if not applicable)

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Fix #...

Unit Tests and/or Case Tests for my changes

  • Update corresponding unit test.

What's changed?

  • Now Pseudopot_upf will read in the data and save them into Atom_pseudo directly, not save in itself.

This is the first step to refactor the pseudopotential part. Next, we will remove the function read_pseudo from cell, and then remove all the things about pseudopotential from cell.

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

  • Example: I have added a new virtual function in the esolver base class in order to ...

@sunliang98 sunliang98 requested a review from mohanchen July 16, 2024 09:32
@mohanchen mohanchen added the The Absolute Zero Reduce the "entropy" of the code to 0 label Jul 16, 2024
@mohanchen mohanchen merged commit a7dc5b5 into deepmodeling:develop Jul 16, 2024
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@sunliang98 sunliang98 deleted the cell branch July 22, 2024 04:40
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