v3.9.0.9

What's Changed

Feature

• Feature&Doc&Tests: Support for deepks_v_delta=-1&-2 by @ErjieWu in deepmodeling#6245
• Add deepks_out_freq_elec for outputting deepks labels during electronic steps by @xuan112358 in deepmodeling#6325
• Feature: long-range corrected hybrid functionals implementation with Spencer-Alavi truncation Coulomb potential by @1041176461 in deepmodeling#6351

Fix

• Fix: reinterpret_cast bug for c10::complex. by @ErjieWu in deepmodeling#6321
• Reformat running log, delete 'printe' command in INPUT and fix the output eigenvalue information issue by @mohanchen in deepmodeling#6326
• Fix: skip mix_dmr after the last iteration by @dzzz2001 in deepmodeling#6331
• Fix: Fix Compile Error on CUDA Version > 12.9 by @Flying-dragon-boxing in deepmodeling#6337
• Fix: Fix calculation type inconsistency across MPI ranks, so that the log file names are correct when out_alllog = 1 by @AsTonyshment in deepmodeling#6356
• Fix: Add MPI synchronization for ekb band energy tensor, and now GPU CI/CD test case 07_NO_EDM_TDDFT_GPU is functional again by @AsTonyshment in deepmodeling#6354

Refactor

• change Exx_Info_Global::coulomb_param from unordered_map to map (Do not recommend using unordered_map, which has defects in C++11) by @linpeize in deepmodeling#6318
• change INPUT exx_ for linear combination of coulomb_param by @linpeize in deepmodeling#6316
• [Refactor] Rename module_basis to source_basis || module_cell to source_cell by @Critsium-xy in deepmodeling#6319
• Refactor: release the limit (<150) on length of comment lines of INPUT by @kirk0830 in deepmodeling#6329
• Refactor: clean Davidson code, remove deprecated overlap matrix scc related code by @Cstandardlib in deepmodeling#6330
• [Refactor] Rename module_elecstate and module_psi and module_hamilt_pw by @Critsium-xy in deepmodeling#6334
• Remove INPUT parameter nbands_istate and unify the naming of real space wave function and partial charge density by @AsTonyshment in deepmodeling#6336
• new gint module (This is a big PR that replaces old integral codes) by @dzzz2001 in deepmodeling#6296
• [Refactor] Rename module_md, module_relax, module_hamilt_lcao and module_io by @Critsium-xy in deepmodeling#6340
• [Refactor] Move module_ri to source_lcao/module_ri and module_rdmft to source_lcao/module_rdmft and correct some documents by @Critsium-xy in deepmodeling#6344
• Refactor: new ccp param framework by @1041176461 in deepmodeling#6350
• Refactor: Refactor KEDF management in ESolver_OF by @sunliang98 in deepmodeling#6349
• [Refactor] Improve type safety with std::complex by @kluophysics in deepmodeling#6346
• [Refactor] Rename module_tddft and hamilt_ofdft and hamilt_stodft and hamilt_pwdft by @Critsium-xy in deepmodeling#6353
• Remove useless and outdated write_psi_r_1 interface and improve related docs and examples by @AsTonyshment in deepmodeling#6345
• Add "#TOTAL ENERGY#" after each ion step by @mohanchen in deepmodeling#6342

Full Changelog: deepmodeling/abacus-develop@v3.9.0.8...v3.9.0.9