v3.9.0.22

What's Changed

Feature

• Feature: Add a new parameter out_freq_td to control output frequency in RT-TDDFT by @AsTonyshment in #6796
• Feature: add exx_cs_inv_thr to get inverse Coulomb by @AroundPeking in #6793

Fix

• Fix: indptr overflow in output big HR. by @ErjieWu in #6803
• Fix: Add a threshold to avoid E_gap(k)=0 for insulators by @LKFEIYI in #6802
• Fix: Update NEP interface to match NEP_CPU's update by @MoseyQAQ in #6804
• fix: GPU memory leak in deriv_drhoc_scc by @dzzz2001 in #6809
• Fix:: replace deprecated CUDA_VERSION and handle CUDA 13+ architecture requirements by @Flying-dragon-boxing in #6810

Performance

• perf(TDDFT): Add CUDA acceleration for snap_psibeta_half function (Useful information about largely improves the snap_psibeta_half function) by @dzzz2001 in #6808

Refactor

• Simplify Lmax in Center2_Orb and Matrix_Orbs by @linpeize in #6806
• Simplify Lmax and ORB_gaunt_table in Center2_Orb and Matrix_Orbs by @linpeize in #6819

Others

• Update version to 3.9.0.22. by @ErjieWu in #6820

New Contributors

• @LKFEIYI made their first contribution in #6802
• @AroundPeking made their first contribution in #6793

Full Changelog: v3.9.0.21...v3.9.0.22