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Feature: binary format of backup charge density #5782

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merged 4 commits into from
Jan 1, 2025
Merged

Feature: binary format of backup charge density #5782

merged 4 commits into from
Jan 1, 2025

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YuLiu98
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@YuLiu98 YuLiu98 commented Dec 30, 2024

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Fix #5479

kirk0830
kirk0830 reviewed Dec 30, 2024
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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
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@mohanchen mohanchen mohanchen approved these changes

@QuantumMisaka QuantumMisaka Awaiting requested review from QuantumMisaka

@kirk0830 kirk0830 Awaiting requested review from kirk0830

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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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Successfully merging this pull request may close these issues.

Request: Charge backup in the middle of SCF for hard SCF process
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@YuLiu98 @mohanchen @kirk0830