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Commits on Apr 24, 2026

• Allow selecting version (#7278)

  Critsium-xy

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  29b51c7

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Commits on Apr 22, 2026

• [Feature] Add Windows Installer for ABACUS (#7267)

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  Critsium-xy

  and

  claude

  authored
  6beefd0

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Commits on Apr 17, 2026

• Upload new script for drawing absorption spectra (#7246)

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  AsTonyshment

  authored
  9683591

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Commits on Dec 3, 2025

• Feature: tools for selective dynamics with ABACUS + Phonopy (#6755)

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  YuLiu98

  authored
  6a94875

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Commits on Nov 2, 2025

• Refactor: RT-TDDFT ESolver `ESolver_KS_LCAO_TDDFT` (#6668)

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  AsTonyshment

  authored
  704c671

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Commits on Sep 3, 2025

• Refactor: remove the INPUTw input script and transfer parameters to INPUT (SIAB refactor 1/3) (#6475)

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  kirk0830

  authored
  5b37f29

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Commits on Aug 31, 2025

• Delete useless codes in SIAB directory (#6467)

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  mohanchen

  and

  sunliang98

  authored
  1b891d4

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Commits on Aug 27, 2025

• update SIAB codes (#6462)

  mohanchen

  authored
  37bdf71

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Commits on Aug 4, 2025

• Fix: dav_subspace for uspp (#6428)

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  YuLiu98

  authored
  2f59a6f

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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

  authored
  063bd69

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Commits on Jul 2, 2025

• type 1 fix with std::complex (#6346)

  

  Kai Luo (罗凯)

  authored
  ca96d8e

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Commits on Apr 14, 2025

• Refactor: reduce the read-in loop in sts_line (#6148)

  YuLiu98

  authored
  42e098c

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Commits on Apr 10, 2025

• Feature: add postprocess for stm plot (#6137)

  YuLiu98

  authored
  1026fa4

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Commits on Jan 18, 2025

• Fix: Output a warning when the lattice vector is left-handed. (#5855)

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  sunliang98

  authored
  e927eab

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Commits on Nov 15, 2024

• Feature: Ground state projection tool for RT-TDDFT (#5477)

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  ESROAMER

  authored
  5816785

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Commits on Nov 1, 2024

• Fix: widen the range of support on STRU file of Molden interface (#5388)

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  kirk0830

  authored
  0f44046

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Commits on Oct 23, 2024

• Add number of threads output in stdout (#5281)

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  QuantumMisaka

  and

  pre-commit-ci-lite[bot]

  authored
  3203ec6

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Commits on Aug 12, 2024

• Fix: improve the experience of using `molden.py` postprocessing tool by both developer and user (#4942)

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  kirk0830

  authored
  e614606

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Commits on Aug 9, 2024

• Tools: support molden file generation via NAO2GTO (#4937)

  kirk0830

  authored
  111073b

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Commits on Aug 8, 2024

• Fix: correct the behavior of profile1d function in cube_manipulator.py (#4892)

  kirk0830

  authored
  8421183

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Commits on Jul 19, 2024

• Fix: eliminate compilaton error due to the `#define private public` macro in all unittests (#4733)

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  kirk0830

  and

  pre-commit-ci-lite[bot]

  authored
  8b8761c

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Commits on Jul 13, 2024

• Tool: for Gaussian cube file manipulation (#4684)

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  kirk0830

  and

  mohanchen

  authored
  a13c22a

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Commits on Jun 14, 2024

• fix the output format in aveElecStatPot.py (#4367)

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  xdzhu

  authored
  204c1f9

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Commits on Jun 12, 2024

• Convert the unit of the average electrostatic potential to eV and also save the results in Ry, and modify the script for calculating and plotting the average electrostatic potential to automaticall…

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  xdzhu

  authored
  7fb6d9c

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Commits on Jun 11, 2024

• refactor: separate the print_psi from wfc_2d_to_grid and remove the invalid call (#4268)

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  pxlxingliang

  and

  mohanchen

  authored
  e8332b4

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Commits on May 8, 2024

• Update band.py (#4116)

  1041176461

  authored
  3344e50

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Commits on Apr 16, 2024

• Fix bug in plot-tools (#3990)

  1041176461

  authored
  f1d065a

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Commits on Apr 8, 2024

• Fix: dos plot for nspin=2 (#3928)

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  3 peopleauthored
  270b307

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Commits on Mar 5, 2024

• Feature: release numerically stable QO with handson manual in tools/qo/ (#3669)

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  kirk0830

  authored
  63d0688

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Commits on Jan 15, 2024

• Feature&Refactor: multiple values input now is supported by QO (#3483)

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  kirk0830

  authored
  9c71336

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Commits on Jan 11, 2024

• Feature: support QO can be installed like `python setup.py install` and use as `import abacus2qo` (#3463)

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  kirk0830

  authored
  6f93cfd

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Commits on Jan 2, 2024

• Feature: Quasiatomic Orbital (QO) implement - immediate (#3236)

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  kirk0830

  and

  WHUweiqingzhou

  authored
  cbaccdf

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Commits on Nov 10, 2023

• Fix : plot-tool dipole.py (#3134)

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  lyb9812

  authored
  35bd3a7

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Commits on Oct 23, 2023

• Bug fix: modify orbital labels order to match ylm.cpp (#3084)

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  3 peopleauthored
  79547be

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Commits on Jun 14, 2023

• Fix: set bessel_nao_rcut as rcut (#2625)

  YuLiu98

  authored
  148f175

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