What's Changed
Feature
- [Feature] Allow using multiple nodes to caculate on DSP hardware by @Critsium-xy in deepmodeling#6708
- Feature: add xc output info by @linpeize in deepmodeling#6715
Fix
- Add iostream include to cusolver.h by @ieiue in deepmodeling#6696
- Fix the search radius for calculating angular momentum matrices by @maki49 in deepmodeling#6705
- Fix: fix a bug caused by intel compiler by @dzzz2001 in deepmodeling#6703
- [Fix]An Intel Build test for abacus with PEXSI support(PART II) by @ZhouXY-PKU in deepmodeling#6707
- Fix: Bug in EXX PW, nspin=2 due to wrong k-point index by @Flying-dragon-boxing in deepmodeling#6721
- Update Cereal URL in FindCereal.cmake by @ZhouXY-PKU in deepmodeling#6722
- Update LibRI URL in FindLibRI.cmake to use codeload for fetching by @kluonj in deepmodeling#6723
- Fix: Fix coverage test by @sunliang98 in deepmodeling#6725
Refactor
- Remove GlobalC::dftu by @mohanchen in deepmodeling#6694
- Reducing the size of esolver_ks_lcao by @mohanchen in deepmodeling#6697
- Refactor&Feature: Package some parameters in DeePKS for simplification & update HR precalc output. by @ErjieWu in deepmodeling#6706
- Changed the positions of the template class declarations in rdmft_tools.cpp by @ZhouXY-PKU in deepmodeling#6712
- [Refactor] Using a INPUT parameter to adjust dsp cards count by @Critsium-xy in deepmodeling#6717
- Refactor: Support RT-TDDFT EDM calculation in Tensor by @AsTonyshment in deepmodeling#6726
Doc
- Toolchain and docs modification by @QuantumMisaka in deepmodeling#6718
- modify the description of the BFGS parameter by @19hello in deepmodeling#6710
Version Update
- update version to v3.9.0.19 by @19hello in deepmodeling#6720
Full Changelog: deepmodeling/abacus-develop@v3.9.0.18...v3.9.0.19