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add jupyter to toml files (#283) Container #271: Commit bd6677a pushed by QG-phy
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change to UV for dependency management (#282) Container #270: Commit e777f1f pushed by QG-phy
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feat: Add dptbplas example (#281) Container #269: Commit 266b994 pushed by QG-phy
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make nintp large than 0 (#277) Container #268: Commit 3df7b08 pushed by floatingCatty
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fix the l=0 case Container #267: Commit 024a5fe pushed by floatingCatty
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Efficient Block-Diagonal Matrix Operations for Wigner D Computation (… Container #266: Commit 8664566 pushed by floatingCatty
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Fix bug so2 (#267) Container #265: Commit 9b5607f pushed by floatingCatty
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fix(energy): remove uncessary orthgonalization in ortho-case (#270) Container #264: Commit 3e9c018 pushed by QG-phy
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feat: Add delete overlap option to pth2json and improve model saving … Container #263: Commit 40f71f6 pushed by QG-phy
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Merge branch 'main' of https://github.com/deepmodeling/DeePTB Container #262: Commit 3d8c074 pushed by floatingCatty
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hot fix: average loss for non-fast validation only (#261) Container #261: Commit 336bbe7 pushed by QG-phy
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feat: Add support for eigenvalue solvers 'torch' and 'numpy' (#265) Container #260: Commit a3acad6 pushed by QG-phy
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add Trinity model and debug the lem (#256) Container #259: Commit 8811615 pushed by floatingCatty
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feat: add support for multiple datasets input (#252) Container #258: Commit f1f2d2e pushed by floatingCatty
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Hotfix tojson (#258) Container #257: Commit 2cf6de4 pushed by QG-phy
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add manually input overlap matrix feature with example (#253) Container #256: Commit f9c4d66 pushed by QG-phy
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fix: add checks for basis existence in NNSK methods to prevent key er… Container #255: Commit 07c9871 pushed by QG-phy
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feat: add universal one hot feature and sliding window for rop in it… Container #254: Commit b666d17 pushed by QG-phy
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Tutorial 2025 (#241) Container #253: Commit 8524a13 pushed by QG-phy
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build(deps): bump actions/setup-python from 4 to 5 (#247) Container #252: Commit 817ff6c pushed by QG-phy
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build(deps): bump actions/checkout from 3 to 4 (#246) Container #251: Commit 64b2b10 pushed by QG-phy
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build(deps): bump peaceiris/actions-gh-pages from 3 to 4 (#245) Container #250: Commit 0044595 pushed by QG-phy
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Add ipynb (#243) Container #249: Commit 39f4cf1 pushed by QG-phy
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更新Sphinx配置，添加myst_nb扩展及其版本要求 (#242) Container #248: Commit 0a88764 pushed by QG-phy
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Update add_pages_doc.yml Container #247: Commit f1eb2b9 pushed by QG-phy
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