v3.9.0.26

What's Changed

Feature

• Feature: add class PotXC_FDM and Pot_Cosikr by @linpeize in #6962
• [Feature] Add gemv_op_mt for DSP by @Cstandardlib in #7009
• [Feature] Allow compile LCAO version on DSP by @Critsium-xy in #7013
• Feature: Multi-GPU support for RT-TDDFT by @AsTonyshment in #7026

Fix

• Fix: correct the unit conversion between Plumed and ASE in example by @kirk0830 in #6993
• Fix buffer overflow in H_Ewald_pw::rgen for very small unit cells / high ecutwfc by @Copilot in #7025
• [Fix] Fix mxr, use estimate for hardcoded instance by @Cstandardlib in #7036
• Fix DSP count check problem by @Critsium-xy in #7035
• Fix: use direct import of full_3x3_to_voigt_6_index by @kirk0830 in #7042
• Fix: dsp memory op by @Cstandardlib in #7056
• Fix: Add DSP gemm pack with auto memcpy to buffer by @Cstandardlib in #7060
• Fix: Fix DSP gemv_op_mt compile by @Cstandardlib in #7079

Refactor

• Refactor: Optimize memory management in RT-TDDFT to enable large-scale GPU calculations by @AsTonyshment in #6995
• Refactor: remove dependence of Tensor for cg interface by @Cstandardlib in #7000
• Refactor: Use a unified hpsi_func/spsi_func for all ks_solvers by @Cstandardlib in #7002
• refactor esolver_ks_pw by @mohanchen in #7008
• Refactor device parameter in esolver_ks_pw by @mohanchen in #7016
• Refactor: add nullptr for uninitialized pointer by @linpeize in #7027
• Refactor: add nullptr for uninitialized pointer by @linpeize in #7069
• Refactor: add nullptr for uninitialized pointer by @linpeize in #7078
• Esolver refactor for LCAO and pw by @mohanchen in #7012
• Try removing template dependency of ESolver by @mohanchen in #7014
• We remove the template of ESolver_KS !!! by @mohanchen in #7015
• Remove template of ESolver_KS_pw: just a first step by @mohanchen in #7024
• Let’s try removing the template of ESolver_KS_pw again by @mohanchen in #7028
• add const for variable functions by @linpeize in #7037

Others(Docs / Build / Tests / quality / version)

• Code quality improvements by @mohanchen in #7001
• Build(deps): Bump actions/checkout from 4 to 6 by @dependabot[bot] in #6988
• Build(deps): Bump crazy-max/ghaction-github-pages from 4 to 5 by @dependabot[bot] in #6990
• Build(deps): Bump actions/upload-artifact from 6 to 7 by @dependabot[bot] in #6989
• Build(deps): Bump docker/setup-buildx-action from 3 to 4 by @dependabot[bot] in #7006
• Build(deps): Bump docker/login-action from 3 to 4 by @dependabot[bot] in #7005
• Build(deps): Bump docker/metadata-action from 5 to 6 by @dependabot[bot] in #7004
• Build(deps): Bump docker/build-push-action from 6 to 7 by @dependabot[bot] in #7003
• Docs: fix default value for ks_solver by @Cstandardlib in #7011
• [Tests] Remove sum_cube.cpp that has been replaced by sum_cube.py by @Cstandardlib in #7029
• add output-specification in doc (Useful information for formats of output files) by @mohanchen in #7030
• Put on the link of output-specification in doc by @mohanchen in #7031
• Stabilize RI RPA/EXX and Ewald EXX method merge on develop by @AroundPeking in #7019
• Update version to v3.9.0.26 by @ieiue in #7070

New Contributors

• @PKUJZX made their first contribution in #7038
• @samomoyed made their first contribution in #7043
• @RXL6105505822 made their first contribution in #7048
• @JohnHe233 made their first contribution in #7064

Full Changelog: v3.9.0.25...v3.9.0.26