v3.9.0.10

What's Changed

Fix

• Fix: Fix memory leak introduced by new gint module by @dzzz2001 in deepmodeling#6375
• Fix a bug for the output information after relaxation by @mohanchen in deepmodeling#6395

Feature

• Feature: Implement Xu-Wang-Ma KEDF by @sunliang98 in deepmodeling#6359
• Print eigenvalues for all k-points in running log when kpar > 1 by @lanshuyue in deepmodeling#6367
• Uploading hybrid gauge tddft by @ESROAMER in deepmodeling#6369
• Feature: Support linear combination of coulomb_param for EXX PW by @Flying-dragon-boxing in deepmodeling#6371
• Add use sw and fix Floating point exception by @A-006 in deepmodeling#6372
• Feature: support the output of matrix representation of symm_ops by @kirk0830 in deepmodeling#6390
• Feature: Output real space wavefunction and partial charge density when device=gpu by @AsTonyshment in deepmodeling#6391

Refactor

• [Refactor] Move module_parameter to source_io. Reorganize source_lcao by @Critsium-xy in deepmodeling#6358
• Refactor: the initialization scheme in LRI_CV by @1041176461 in deepmodeling#6363
• Refactor: Remove redundant Input_para from ESolver Class by @sunliang98 in deepmodeling#6370
• refactor Exx_Opt_Orb by @linpeize in deepmodeling#6378
• Refactor: Optimize RT-TDDFT dipole moment output by @AsTonyshment in deepmodeling#6393
• [Refactor] Rename grid to module_grid and genelpa to module_genelpa by @Critsium-xy in deepmodeling#6386
• [Refactor] Move module_lr to source_lcao and add a new folder module_external in source_base by @Critsium-xy in deepmodeling#6388
• Improve md calculation stress output in running log by @lanshuyue in deepmodeling#6366
• Update the output formats of rt-TDDFT by @mohanchen in deepmodeling#6381
• Update the outputs of geometry relaxation by @mohanchen in deepmodeling#6387

Perf

• Perf: support GPU version of cal_force_cc with LCAO basis by @dzzz2001 in deepmodeling#6392

Version Updates

• bump version to 3.9.0.10 by @Cstandardlib in deepmodeling#6397

Full Changelog: deepmodeling/abacus-develop@v3.9.0.9...v3.9.0.10