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Fix: restore out_chg for OFDFT #6570

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Merged
merged 1 commit into from
Oct 8, 2025
Merged

Fix: restore out_chg for OFDFT #6570

merged 1 commit into from
Oct 8, 2025

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@sunliang98
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@sunliang98 sunliang98 commented Oct 8, 2025

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 #6569

Unit Tests and/or Case Tests for my changes

  • A unit test is added for each new feature or bug fix.

What's changed?

  • Example: My changes might affect the performance of the application under certain conditions, and I have tested the impact on various scenarios...

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

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@mohanchen mohanchen added Bugs Bugs that only solvable with sufficient knowledge of DFT Refactor Refactor ABACUS codes Input&Output Suitable for coders without knowing too many DFT details labels Oct 8, 2025
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mohanchen commented Oct 8, 2025

suggest addding a integrate test

@mohanchen mohanchen merged commit 39d1383 into deepmodeling:develop Oct 8, 2025
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@sunliang98 sunliang98 deleted the fix branch October 10, 2025 10:23
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@mohanchen mohanchen mohanchen approved these changes

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@lyb9812 lyb9812 lyb9812 approved these changes

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Bugs Bugs that only solvable with sufficient knowledge of DFT Input&Output Suitable for coders without knowing too many DFT details Refactor Refactor ABACUS codes

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output of charge density for ofdft

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@sunliang98 @mohanchen @lyb9812