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Feature: support init_chg dm to restart with DMR#6753

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mohanchen merged 4 commits intodeepmodeling:developfrom
dyzheng:restart_dm
Dec 3, 2025
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Feature: support init_chg dm to restart with DMR#6753
mohanchen merged 4 commits intodeepmodeling:developfrom
dyzheng:restart_dm

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@dyzheng
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@dyzheng dyzheng commented Dec 2, 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 #6652
af6cc0f602ba748fe75bf7b4fac33777

Restart SCF from DMR is better than textfile of charge density in above test.

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)

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

@mohanchen
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You can check #6744, I have done some refators.

@mohanchen
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There are some failed tests

@mohanchen mohanchen added the Features Needed The features are indeed needed, and developers should have sophisticated knowledge label Dec 3, 2025
@mohanchen
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Do you want to further update the documents? @dyzheng

@mohanchen mohanchen merged commit ee6535c into deepmodeling:develop Dec 3, 2025
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@mohanchen mohanchen added the Refactor Refactor ABACUS codes label Dec 3, 2025
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Features Needed The features are indeed needed, and developers should have sophisticated knowledge Refactor Refactor ABACUS codes

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Enable Loading and Processing of External Density Matrices in CSR Format

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