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Commits on Jul 23, 2025
Remove lapack_connector.h that are not referenced (#6400)
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Cstandardlib
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Commits on Jul 19, 2025
[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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063bd69
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Commits on Jul 18, 2025
Optimize RT-TDDFT dipole output (#6393)
AsTonyshment
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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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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
refactor Exx_Opt_Orb (#6378)
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linpeize
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PeizeLin
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Commits on Jul 10, 2025
Refactor: Remove redundant Input_para from ESolver Class (#6370)
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sunliang98
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Uploading hybrid gauge tddft (#6369)
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ESROAMER
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Commits on Jul 5, 2025
[Refactor] Move module_parameter to source_io. Reorganize source_lcao (#6358)
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Commits on Jul 4, 2025
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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Commits on Jul 3, 2025
[Refactor] Rename module_tddft and hamilt_ofdft and hamilt_stodft and hamilt_pwdft (#6353)
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Commits on Jul 2, 2025
type 1 fix with std::complex (#6346)
Kai Luo (罗凯)
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Refactor: Refactor KEDF management in ESolver_OF (#6349)
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sunliang98
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Commits on Jul 1, 2025
[Refactor] Move module_ri to source_lcao/module_ri and module_rdmft to source_lcao/module_rdmft and correct some documents (#6344)
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Remove useless and outdated `write_psi_r_1` interface and improve related docs and examples (#6345)
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AsTonyshment
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Add "#TOTAL ENERGY#" after each ion step (#6342)
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mohanchen
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Commits on Jun 27, 2025
Rename module_md module_relax module_hamilt_lcao module_io (#6340)
Critsium-xy
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new gint module (This is a big PR that replaces old integral codes) (#6296)
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dzzz2001
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Commits on Jun 26, 2025
Remove INPUT parameter `nbands_istate` and unify the naming of real space wave function and partial charge density (#6336)
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9631697
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Commits on Jun 25, 2025
[Refactor] Rename module_elecstate and module_psi and module_hamilt_pw (#6334)
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Commits on Jun 24, 2025
Fix: skip mix_dmr after the last iteration (#6331)
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dzzz2001
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Commits on Jun 23, 2025
Reformat running log, delete 'printe' command in INPUT and fix the output eigenvalue information issue (#6326)
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mohanchen
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Commits on Jun 22, 2025
Add deepks_out_freq_elec for outputting deepks labels during electronic steps (#6325)
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xuan112358
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Commits on Jun 21, 2025
[Refactor] Rename module_basis to source_basis || module_cell to source_cell (#6319)
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mohanchen
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Commits on Jun 19, 2025
[Refactor] Rename module_base to source_base (#6311)
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Commits on Jun 18, 2025
add write_libxc_r (#6293)
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linpeize
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PeizeLin
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[Refactor] Rename module_hsolver to source_hsolver (#6305)
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Commits on Jun 17, 2025
Rename module_esolver to source_esolver (#6300)
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haozhihan
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