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Refactor: Move pseudo::set_pseudo to Pseudopot::complete_default. #4811

Merged
merged 7 commits into from
Jul 30, 2024
Merged

Refactor: Move pseudo::set_pseudo to Pseudopot::complete_default. #4811

merged 7 commits into from
Jul 30, 2024

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sunliang98
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Reminder

  • 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

  • Corresponding unit tests are updated.

What's changed?

  • Move pseudo::set_pseudo to Pseudopot::complete_default, so that pseudo only takes charge of holding the data, which is filled by Pseudopot.

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
Refactor: Move pseudo::set_pseudo to Pseudopot::complete_default,
37fa3e3 
so that `pseudo` only takes charge of storing the data, which is filled by `Pseudopot`.
@sunliang98
Test: Update the unit tests of set_pseudo
2c0979b
@mohanchen mohanchen added the The Absolute Zero Reduce the "entropy" of the code to 0 label Jul 28, 2024
@sunliang98 sunliang98 requested a review from mohanchen July 28, 2024 13:06
mohanchen
mohanchen reviewed Jul 29, 2024
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@mohanchen mohanchen merged commit 130562f into deepmodeling:develop Jul 30, 2024
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@sunliang98 sunliang98 deleted the cell branch July 31, 2024 13:49
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