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Refactor: Remove the functions about pseudopotential from Unitcell. #5673

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Merged
merged 4 commits into from
Dec 5, 2024
Merged

Refactor: Remove the functions about pseudopotential from Unitcell. #5673

merged 4 commits into from
Dec 5, 2024

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@sunliang98
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@sunliang98 sunliang98 commented Dec 3, 2024

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)

Linked Issue

Fix #...

Unit Tests and/or Case Tests for my changes

  • Update the corresponding Unit Tests.

What's changed?

  • Remove read_pseudo and read_cell_pseudopots from Unitcell.
  • Remove print_unitcell_pseudo from UnitCell.
  • Delete module_cell/read_cell_pseudopots.cpp.

TODO:

  • Remove the files about reading PP from module_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 ...

@mohanchen mohanchen added the The Absolute Zero Reduce the "entropy" of the code to 0 label Dec 3, 2024
@mohanchen mohanchen merged commit 6d26194 into deepmodeling:develop Dec 5, 2024
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@sunliang98 sunliang98 deleted the pp branch December 6, 2024 03:25
Fisherd99 pushed a commit to Fisherd99/abacus-BSE that referenced this pull request Mar 31, 2025
@sunliang98 @Fisherd99
Refactor: Remove the functions about pseudopotential from Unitcell. (d…
a5c2d4d 
…eepmodeling#5673)

* Refactor: Remove read_pseudo and read_cell_pseudopots from Unitcell.

* Test: Update Unit test.

* Refactor: Remove print_unitcell_pseudo from UnitCell.
Delete module_cell/read_cell_pseudopots.cpp

* Test: Update Makefile
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@mohanchen mohanchen mohanchen approved these changes

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@sunliang98 @mohanchen