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@YuLiu98 YuLiu98 commented Dec 30, 2024

Linked Issue

Fix #5479

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@kirk0830 kirk0830 left a comment

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Thanks for you contribution.
This PR supports the dumping of kinetic density and enabling the dumping of data organized in the manner of rhog with the frequency that can set by user.
However, there are several questions needed to be answered.

Regards.

@mohanchen mohanchen added the Refactor Refactor ABACUS codes label Dec 31, 2024
@YuLiu98 YuLiu98 requested a review from kirk0830 December 31, 2024 10:25
@mohanchen mohanchen merged commit cd48c62 into deepmodeling:develop Jan 1, 2025
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@mohanchen mohanchen added the Features Needed The features are indeed needed, and developers should have sophisticated knowledge label Jan 1, 2025
@YuLiu98 YuLiu98 deleted the refactor branch January 3, 2025 03:26
Fisherd99 pushed a commit to Fisherd99/abacus-BSE that referenced this pull request Mar 31, 2025
* Feature: binary format of backup charge density

* Tests: update tests

* move backup charge density output to esolver_fp
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Request: Charge backup in the middle of SCF for hard SCF process

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