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Commits on May 13, 2026

• Add new search algorithm (#7337)

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  19hello

  and

  Fei Yang

  authored
  43024cc

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• [Refactor] Shorten verbose names in module_gint (#7336)

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  dzzz2001

  and

  claude

  authored
  f2d3265

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• small fix in exx symmetry (#7335)

  maki49

  authored
  0cc38f1

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Commits on May 12, 2026

• Remove dependencies in rest files in source_base (#7333)

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  Critsium-xy

  authored
  3ccbad9

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• Fix TITLE() in module_xc (#7330)

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  linpeize

  and

  PeizeLin

  authored
  ac6f9ef

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Commits on May 7, 2026

• Remove parameter.h include of files in source_base (#7318)

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  Critsium-xy

  authored
  49c309c

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• [Refactor] Remove unnecessary manual MPI_Reduce in hsolver dav code (#7314)

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  Cstandardlib

  and

  sisyphus-dev-ai

  authored
  22c985e

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• Refactor: EXX PW now uses the new `Parallel_device` communication interface (#7312)

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  Flying-dragon-boxing

  authored
  4ef3500

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Commits on May 6, 2026

• [Refactor] Remove some dependencies in module_base (#7311)

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  Critsium-xy

  authored
  8dfe3bc

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• Feature: Enable NCCL library for GPU-Direct collective communications in plane wave (BPCG, stochastic KG, etc.) (#7301)

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  Flying-dragon-boxing

  authored
  c86993b

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Commits on May 5, 2026

• Refactor: update `#include` in all files (#7289)

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  linpeize

  and

  PeizeLin

  authored
  78e16d9

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• Fix: Fix ELF for kpar > 1 (#7307)

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  sunliang98

  authored
  6224a17

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Commits on Apr 30, 2026

• Feature: Moving spatial gauge for RT-TDDFT Ehrenfest dynamics (#7300)

  AsTonyshment

  authored
  a8413b3

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Commits on Apr 29, 2026

• [Fix] Eliminate unnecessary vkb CPU allocation on GPU path (#7296)

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  Cstandardlib

  and

  Copilot

  authored
  4b847b6

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Commits on Apr 28, 2026

• Fix warning when there is no plane wave for current k point (#7282)

  Cstandardlib

  authored
  4ff7cff

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• Doc: Enhance the doc of `scf_thr` and `scf_ene_thr` (#7280)

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  sunliang98

  and

  Copilot

  authored
  df82b74

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Commits on Apr 26, 2026

• Add guard for hsolver rank-deficient cases (#7284)

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  Cstandardlib

  authored
  73462db

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Commits on Apr 24, 2026

• remove PAW-related codes (#7277)

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  mohanchen

  and

  abacus_fixer

  authored
  5271ce2

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Commits on Apr 22, 2026

• Remove temporary output file in DeePKS. (#7276)

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  ErjieWu

  authored
  b28ccb1

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• update outputs of LCAO and DeePKS (#7275)

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  mohanchen

  and

  abacus_fixer

  authored
  1735845

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Commits on Apr 21, 2026

• [Refactor] Move abfs-vector3_order from source_base to module_ri (#7270)

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  Critsium-xy

  authored
  d756ca6

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• Update to_wannier90_lcao.h (#7266)

  ZhouXY-PKU

  authored
  71410f5

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• Fix: switch to support the solid spherical harmonics that is consistent with other functionalities (#7258)

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  kirk0830

  authored
  71ee1d7

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• Do not output timer.json. If timer information is required, please extract it from running.log instead. (#7261)

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  mohanchen

  and

  abacus_fixer

  authored
  c37671b

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Commits on Apr 19, 2026

• add a small threshold (e.g., 1.0e-15) when writing occupation numbers to eig_occ.txt. For example, if occupation < 1e-15, print 0.0 instead of the tiny numerical value. (#7257)

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  mohanchen

  and

  abacus_fixer

  authored
  8368c62

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• fix some format issues (#7259)

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  mohanchen

  and

  abacus_fixer

  authored
  9273888

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• Identified the problem : The double-precision real versions of the wrapper functions xhegvd_wrapper and xheevd_wrapper were always defined, but they were only used when __LCAO was defined. (#7255)

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  mohanchen

  and

  abacus_fixer

  authored
  7a6e784

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• Update version to v3.11.0-beta.1 (#7249)

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  sunliang98

  authored
  78d71c9

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• fix bug in Matrix_Orbs22::cal_grad_overlap_matrix() (#7254)

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  linpeize

  and

  PeizeLin

  authored
  47a085c

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Commits on Apr 17, 2026

• feat(input, kpoints): support shifted kspacing mesh with koffset and kmesh_type (#7247)

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  Cstandardlib

  and

  mohanchen

  authored
  3669a02

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• Doc: Update the doc of out_dmk (#7240)

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  sunliang98

  authored
  40b4304

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Commits on Apr 15, 2026

• Feature: use new format of CSR file for out_mat_hs2 and out_mat_ds, out_mat_t, out_mat_r, out_mat_xc2 (Useful Information for output format update of H(R), S(R) and other matrices that based on NAO…

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  4 peopleauthored
  533ca12

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Commits on Apr 14, 2026

• Fix: Enhance the warning of `ntype` (#7239)

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  sunliang98

  authored
  6d1d4fa

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Commits on Apr 13, 2026

• Feature: Implement ext-WT KEDF for OFDFT (#7231)

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  sunliang98

  authored
  d65fdca

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• [Docs] Fix out_chg docs (#7227)

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  Cstandardlib

  authored
  f13e1c5

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