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Commits on Oct 7, 2024

• Merge pull request #80 from Lonya0/main

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  mzjb

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Commits on Sep 23, 2024

• Update preprocess.py

  Lonya0

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Commits on May 22, 2024

• Merge pull request #73 from Lonya0/patch-1

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  mzjb

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• Update preprocess.py for magmon from abacus

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  Lonya0

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Commits on May 7, 2024

• Update Sphinx version for readthedocs compatibility

  mzjb

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Commits on May 6, 2024

• Added a note regarding issues in ABACUS interface (#71)

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  Karasawa-Shin

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Commits on Dec 29, 2023

• Merge pull request #53 from PhysAIzhijiang/main

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  mzjb

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• Merge pull request #59 from yxpw/patch-1

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  mzjb

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• Update dense_calc.py

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  yxpw

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Commits on Dec 28, 2023

• Merge pull request #58 from aaaashanghai/main

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  mzjb

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• fix: format change of ABACUS v3.4

  Karasawa-Shin

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Commits on Aug 3, 2023

• multiprocessing support in dense_calc.py

  bsplu

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• fix: defined ill_threshold

  bsplu

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Commits on Jul 24, 2023

• add: ill_project to python solver

  bsplu

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Commits on Jul 11, 2023

• Bump version: 0.2.1 → 0.2.2

  mzjb

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Commits on Jun 30, 2023

• Fix a bug

  mzjb

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Commits on Jun 19, 2023

• Fix a bug

  mzjb

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Commits on Jun 16, 2023

• Fix a bug

  mzjb

  committed
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Commits on Jun 14, 2023

• Bump version: 0.2.0 → 0.2.1

  mzjb

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• Fix a bug

  mzjb

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• Update the license

  mzjb

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Commits on Jun 6, 2023

• fix: multiprocessing in generating crystal graphs (#46)

  bsplu

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Commits on Jun 5, 2023

• fix bugs in dense_calc.py (#45)

  Ting-Bao

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Commits on May 25, 2023

• Control diagonalization algorithms through the "eigen_solver" parameter (including the option to use a Python diagonalization script)

  mzjb

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• python interpreter support (#28)

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  bsplu

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Commits on Apr 27, 2023

• Add feature to project out ill-conditioned basis functions for enhanced numerical stability in calculating eigenenergies

  mzjb

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Commits on Mar 12, 2023

• Compatible with ABACUS >= 3.0

  mzjb

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Commits on Mar 10, 2023

• Add clarification about dataset to avoid misunderstandings

  mzjb

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Commits on Mar 8, 2023

• Compatible with ABACUS 3.0

  mzjb

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Commits on Feb 20, 2023

• Compatible with pymatgen-2023.1.30

  mzjb

  committed
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Commits on Feb 3, 2023

• Parse magnetic moment from OpenMX output

  mzjb

  committed
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• Modify the version of julia to 1.6.6

  mzjb

  committed
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Commits on Jan 27, 2023

• Using Pardiso to accelerate the sparse eigen solver

  mzjb

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Commits on Dec 3, 2022

• Support interface of ABACUS for spin-polarized (including spin-orbit coupling) calculations

  mzjb

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Commits on Nov 21, 2022

• Fix a bug about abacus suffix

  mzjb

  committed
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