v3.9.0.5
What's Changed
Feature
- Feature: multi-k case support for out_dm=1 by @ErjieWu in deepmodeling#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 deepmodeling#6182
- Update the documents for input parameters by @mohanchen in deepmodeling#6192
- [Toolchain] 2025-02 version update by @QuantumMisaka in deepmodeling#6189
Fix
- Fix: Enhance the computational stability of ELF. by @sunliang98 in deepmodeling#6166
- Refactor: toolchain fixes for Intel oneapi 2025 for #5518 by @kluophysics in deepmodeling#6173
Refactor
- [Refactor] Separate blas_connector.cpp into three files by @Critsium-xy in deepmodeling#6178
Perf
- Perf: add ccache support to cuda compiler by @dzzz2001 in deepmodeling#6187
Test
- Test: Add unit tests and integrate tests for new features of DeePKS. by @ErjieWu in deepmodeling#6140
- Update integrate tests to reduce running time, change improper output style and files by @mohanchen in deepmodeling#6179
- [Test] Now integrated test will run after other tests by @Critsium-xy in deepmodeling#6183
- Tear down the integration tests into more than 10 subdirectories by @mohanchen in deepmodeling#6186
- Updating the integraete tests, reorganize 02_NAO_Gamma and 03_NAO_multik directories by @mohanchen in deepmodeling#6188
Full Changelog: v3.9.0.4...v3.9.0.5