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@YuLiu98 YuLiu98 commented Jan 23, 2025

What's changed?

  • add XC_Functional::get_ked_flag() to represent that kinetic energy density is needed in XC.

@YuLiu98 YuLiu98 requested a review from mohanchen January 23, 2025 13:46
@mohanchen mohanchen merged commit 46797ad into deepmodeling:develop Jan 24, 2025
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Good job.

@YuLiu98 YuLiu98 changed the title Refactor: add XC_Functional::get_has_kedf() Refactor: add XC_Functional::get_ked_flag() Jan 24, 2025
@mohanchen mohanchen added the The Absolute Zero Reduce the "entropy" of the code to 0 label Feb 1, 2025
@YuLiu98 YuLiu98 deleted the refactor branch February 18, 2025 08:24
Fisherd99 pushed a commit to Fisherd99/abacus-BSE that referenced this pull request Mar 31, 2025
* Refactor: remove elecstate_getters

* Refactor: add XC_Functional::get_has_kedf()

* Refactor: update unit tests

* [pre-commit.ci lite] apply automatic fixes

* Refactor: rename has_kedf to ked_flag

---------

Co-authored-by: pre-commit-ci-lite[bot] <117423508+pre-commit-ci-lite[bot]@users.noreply.github.com>
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