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v3.9.0.5

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@Critsium-xy Critsium-xy released this 10 May 04:58
· 244 commits to develop since this release
5d0949c

What's Changed

Feature

  • Feature: multi-k case support for out_dm=1 by @ErjieWu in #6181
  • Update HSE examples, reduce the testing time, modify some outputs for HSE and LR calculations, reformat the output atomic positions, change 'jd' files in integreate tests to 'README' files by @mohanchen in #6182
  • Update the documents for input parameters by @mohanchen in #6192
  • [Toolchain] 2025-02 version update by @QuantumMisaka in #6189

Fix

Refactor

Perf

Test

  • Test: Add unit tests and integrate tests for new features of DeePKS. by @ErjieWu in #6140
  • Update integrate tests to reduce running time, change improper output style and files by @mohanchen in #6179
  • [Test] Now integrated test will run after other tests by @Critsium-xy in #6183
  • Tear down the integration tests into more than 10 subdirectories by @mohanchen in #6186
  • Updating the integraete tests, reorganize 02_NAO_Gamma and 03_NAO_multik directories by @mohanchen in #6188

Full Changelog: v3.9.0.4...v3.9.0.5