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Commits on Sep 1, 2025

• fix the l=0 case

  floatingCatty

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• Efficient Block-Diagonal Matrix Operations for Wigner D Computation (#250)

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  Kai-Qi

  and

  floatingCatty

  authored
  8664566

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• Fix bug so2 (#267)

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  floatingCatty

  authored
  9b5607f

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• fix(energy): remove uncessary orthgonalization in ortho-case (#270)

  AsymmetryChou

  authored
  3e9c018

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Commits on Aug 11, 2025

• feat: Add delete overlap option to pth2json and improve model saving logic (#268)

  QG-phy

  authored
  40f71f6

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Commits on Jul 20, 2025

• fix small type in doc ana update (#266)

  floatingCatty

  authored
  5b97981

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• Merge branch 'main' of https://github.com/deepmodeling/DeePTB

  floatingCatty

  committed
  3d8c074

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• optimize loss analysis usage and align the doc

  floatingCatty

  committed
  218e3ee

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Commits on Jul 12, 2025

• hot fix: average loss for non-fast validation only (#261)

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  Franklalalala

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  336bbe7

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Commits on Jul 11, 2025

• feat: Add support for eigenvalue solvers 'torch' and 'numpy' (#265)

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  AsymmetryChou

  and

  Copilot

  authored
  a3acad6

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Commits on Jun 30, 2025

• add Trinity model and debug the lem (#256)

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  floatingCatty

  and

  QG-phy

  authored
  8811615

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Commits on Jun 27, 2025

• feat: add support for multiple datasets input (#252)

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  Franklalalala

  authored
  f1f2d2e

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Commits on Jun 9, 2025

• Hotfix tojson (#258)

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  QG-phy

  authored
  2cf6de4

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Commits on Jun 6, 2025

• add manually input overlap matrix feature with example (#253)

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  Lonya0

  authored
  f9c4d66

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Commits on Jun 5, 2025

• fix: add checks for basis existence in NNSK methods to prevent key errors (#257)

  QG-phy

  authored
  07c9871

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Commits on May 8, 2025

• feat: add universal one hot feature and sliding window for rop in it… (#231)

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  Franklalalala

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  b666d17

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Commits on May 7, 2025

• Update requirements.txt

  QG-phy

  authored
  50c81d4

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• Tutorial 2025 (#241)

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  QG-phy

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  8524a13

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Commits on May 6, 2025

• build(deps): bump actions/setup-python from 4 to 5 (#247)

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  dependabot[bot]

  authored
  817ff6c

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• build(deps): bump actions/checkout from 3 to 4 (#246)

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  dependabot[bot]

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  64b2b10

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• build(deps): bump peaceiris/actions-gh-pages from 3 to 4 (#245)

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  dependabot[bot]

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  0044595

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Commits on May 4, 2025

• Update index.rst

  QG-phy

  authored
  d408b50

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• Add ipynb (#244)

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  QG-phy

  authored
  14e6621

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• Add ipynb (#243)

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  QG-phy

  authored
  39f4cf1

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• 更新Sphinx配置，添加myst_nb扩展及其版本要求 (#242)

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  QG-phy

  authored
  0a88764

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• Update add_pages_doc.yml

  QG-phy

  authored
  f1eb2b9

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• Create add_pages_doc.yml

  QG-phy

  authored
  271c82c

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Commits on Apr 26, 2025

• update input and e3tb hands on doc (#240)

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  floatingCatty

  and

  QG-phy

  authored
  75e3b06

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Commits on Apr 7, 2025

• refactor(utils): 修改vasp_kpath函数参数类型并更新文档 (#237)

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  QG-phy

  authored
  767d51f

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Commits on Mar 20, 2025

• Refactor constants in constants.py (#236)

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  QG-phy

  authored
  a26d141

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• add compare_tensors_as_sets_float, remove the comparasion of order dependence in band index related tensors (#235)

  QG-phy

  authored
  a5929d6

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Commits on Mar 19, 2025

• Update README.md

  QG-phy

  authored
  5a395c4

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• Update README.md

  QG-phy

  authored
  53654d5

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• Update README.md

  QG-phy

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  5450a26

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• Update README.md

  QG-phy

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  955eea3

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