v3.9.0.5
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
- Fix: Enhance the computational stability of ELF. by @sunliang98 in #6166
- Refactor: toolchain fixes for Intel oneapi 2025 for #5518 by @kluophysics in #6173
Refactor
- [Refactor] Separate blas_connector.cpp into three files by @Critsium-xy in #6178
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