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Commits on Jul 26, 2025
Fix: Numerical error in pyabacus. (#6414)
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ErjieWu
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Commits on Jul 25, 2025
Remove blas/lapack_connector.h that are not referenced in test (#6413)
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Cstandardlib
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Commits on Jul 23, 2025
Fix rt-tddft crash (#6410)
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ESROAMER
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Refactor: changed cereal url with codeload (#6408)
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Kai Luo (罗凯)
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Remove lapack_connector.h that are not referenced (#6400)
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Cstandardlib
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Commits on Jul 22, 2025
Fix: fix exx_gamma_extrapolation error in MPI (#6404)
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Commits on Jul 21, 2025
Fix control flow of occNum_func in rdmft_tools to include default value control flow. (#6403)
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explicitly introduce push_data version of the base class that is not overridden (#6401)
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Remove internal header file device_functions.h that is not allowed to include directly and will be removed in future CUDA release, eliminating compile warning by nvcc. (#6399)
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Remove unreferenced blas_connector.h header (#6398)
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Clean dependency: remove headers scalapack_connector that are not actually referenced (#6396)
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Commits on Jul 20, 2025
bump version to 3.9.0.10 (#6397)
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sunliang98
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Commits on Jul 19, 2025
Fix a bug for the output information after relaxation (#6395)
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mohanchen
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[Refactor] Move module_lr to source_lcao and add a new folder module_external in source_base (#6388)
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Critsium-xy
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Perf: support GPU version of cal_force_cc with LCAO basis (#6392)
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dzzz2001
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Commits on Jul 18, 2025
Optimize RT-TDDFT dipole output (#6393)
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7edc682
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Feature: Output real space wavefunction and partial charge density when `device=gpu` (#6391)
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AsTonyshment
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Feature: support the output of matrix representation of symm_ops (#6390)
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kirk0830
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Commits on Jul 14, 2025
Update the outputs of geometry relaxation (#6387)
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mohanchen
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[Refactor] Rename grid to module_grid and genelpa to module_genelpa (#6386)
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Commits on Jul 13, 2025
Update the output formats of rt-TDDFT (#6381)
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mohanchen
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Commits on Jul 12, 2025
Add use sw and fix Floating point exception (#6372)
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A-006
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refactor Exx_Opt_Orb (#6378)
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linpeize
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PeizeLin
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Commits on Jul 10, 2025
Fix: Fix memory leak introduced by new gint module (#6375)
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dzzz2001
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012c216
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Refactor: Remove redundant Input_para from ESolver Class (#6370)
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sunliang98
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Feature: Support linear combination of coulomb_param for EXX PW (#6371)
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Improve md calculation stress output in running log (#6366)
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lanshuyue
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db41600
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Uploading hybrid gauge tddft (#6369)
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ESROAMER
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Commits on Jul 9, 2025
Print eigenvalues for all k-points in running log when kpar > 1 (#6367)
lanshuyue
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Commits on Jul 8, 2025
Refactor: the initialization scheme in LRI_CV (#6363)
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Commits on Jul 5, 2025
[Refactor] Move module_parameter to source_io. Reorganize source_lcao (#6358)
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Critsium-xy
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Feature: Implement Xu-Wang-Ma KEDF (#6359)
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sunliang98
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Commits on Jul 4, 2025
update version (#6360)
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dzzz2001
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sunliang98
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3bb2226
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Feature: long-range corrected hybrid functionals implementation with Spencer-Alavi truncation Coulomb potential (#6351)
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Fix: Add MPI synchronization for `ekb` band energy tensor, and now GPU CI/CD test case `07_NO_EDM_TDDFT_GPU` is functional again (#6354)
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AsTonyshment
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