v3.9.0.13
What's Changed
Fix
- fix some bugs and optimize out_struc in rpa by @Fisherd99 in deepmodeling#6445
- Fix: Fix regex pattern for extracting version in version_check.yml by @sunliang98 in deepmodeling#6446
- Toolchain intel update to fix issue #6190 by @kluophysics in deepmodeling#6451
- Fix a bug caused by libtorch>=2.6.0. by @ErjieWu in deepmodeling#6461
Refactor
- Build(deps): Bump actions/checkout from 4 to 5 by @dependabot[bot] in deepmodeling#6444
- Build(deps): Bump actions/upload-pages-artifact from 3 to 4 by @dependabot[bot] in deepmodeling#6456
- update SIAB codes by @mohanchen in deepmodeling#6462
Perf
- Perf: add cuda version of cal_force_ew by @dzzz2001 in deepmodeling#6448
- Perf: optimize cuda version of cal_force_cc by @dzzz2001 in deepmodeling#6450
- Perf: Accelerate cal_overlap in get_s calculation. by @ErjieWu in deepmodeling#6460
- Perf: cuSOLVER supports parallel solving of multiple k-point matrices (Useful information to know how to use different GPUs to diagonalize matrices from different k points) by @dzzz2001 in deepmodeling#6464
Version Updates
- Update version to 3.9.0.13 by @AsTonyshment in deepmodeling#6465
New Contributors
- @Fisherd99 made their first contribution in deepmodeling#6445
Full Changelog: deepmodeling/abacus-develop@v3.9.0.12...v3.9.0.13