Release v3.9.0 · abacusmodeling/abacus-develop

What's Changed

Feature: Allow directly compiling CUDA version on DCU harware by @Critsium-xy in deepmodeling#5727
Feature: add smooth ethr for all iter methods by @haozhihan in deepmodeling#5732
Feature: enable cal_force and cal_stress in nscf by @YuLiu98 in deepmodeling#5752
Feature: LR-TDDFT absorption spectrum in velocity gauge by @maki49 in deepmodeling#5760
update bfgs_trad method by @19hello in deepmodeling#5662

Fix: update kinetic energy when all atoms are fixed by @YuLiu98 in deepmodeling#5729
Fix: Segment Fault of PAW by @Qianruipku in deepmodeling#5738
Fix: Segment fault in GPU-Davidson by @Qianruipku in deepmodeling#5763
Fix stru by @dyzheng in deepmodeling#5772
Fix: enable ecutrho/ecutwfc > 4 for ncpp by @YuLiu98 in deepmodeling#5765

Docs: move doxygen to headers for DiagoDavid class and add some new by @Cstandardlib in deepmodeling#5736
Docs: update the docs of exx_ccp_rmesh_times and exx_real_number by @Chentao168 in deepmodeling#5758

Refactor: add const for Grid_Driver by @YuLiu98 in deepmodeling#5725
Refactor: Change some functions in module_deepks into template. by @ErjieWu in deepmodeling#5731
Refactor:remove GlobalC::ucell in module_elesctate by @A-006 in deepmodeling#5730
Refactor: remove GlobalC::solvent_model by @YuLiu98 in deepmodeling#5735
Refactor:Remove GlobalC::ucell by @A-006 in deepmodeling#5737
Refactor: remove GlobalC::Pgrid by @Qianruipku in deepmodeling#5740
Refactor: split pseudopot_cell_vl and pseudopot_cell_vnl by @YuLiu98 in deepmodeling#5743
Refactor: refactor neighbour atom search but no change on algo by @goodchong in deepmodeling#5759
Refactor: remove the Psi Constructors using int* ngk_in by @haozhihan in deepmodeling#5745
Refactor: Replace nlm_save in DeePKS by HContainer object phialpha. by @ErjieWu in deepmodeling#5766

Full Changelog: v3.8.5...v3.9.0