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Commits on Dec 15, 2025

• Updated to latest tensorial 0.6.0

  muhrin

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Commits on Dec 2, 2025

• Updated to use latest tensorial for diff()

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  muhrin

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Commits on Nov 13, 2025

• Pyproject updates

  muhrin

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  ef7fc32

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• Updated minimum version of reax

  muhrin

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Commits on Oct 29, 2025

• Updated to latest version of tensorial

  muhrin

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Commits on Oct 23, 2025

• Merge pull request #3 from muhrin/version-updates

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  MattiaSpider-SIMaP

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• Updated pre-commit tools and bracketed reax version

  muhrin

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  4697380

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• Added mock datasets for qm9 dataset and datamodule testing

  

  MattiaSpider-SIMaP

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  muhrin

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• Cache and raise problems corrected + small correction, testing still not working for dowloading issue

  

  MattiaSpider-SIMaP

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  muhrin

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• Corrections for pylint

  

  MattiaSpider-SIMaP

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  muhrin

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• Added pymatgen to dependencies

  

  MattiaSpider-SIMaP

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  muhrin

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  06d54db

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• Corrections for qm9 dataset and datamodule PR

  

  MattiaSpider-SIMaP

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  muhrin

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• Completed qm9_nmr.py with dataset and datamodule classes with according test scripts

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  MattiaSpider-SIMaP

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  muhrin

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Commits on Aug 24, 2025

• Version 0.1.2

  muhrin

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• Added demo BTO data

  muhrin

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Commits on Jul 15, 2025

• Small improvements to electric response tensors

  muhrin

  committed
  309371b

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• Updated to use tensorial experimental diff()

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  muhrin

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Commits on Jun 10, 2025

• Removed dependnecy on tensorial github repo

  muhrin

  committed
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• Added losses and derivative version of nequip

  muhrin

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Commits on Jun 6, 2025

• Work togwards getting response function modules

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  muhrin

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Commits on Jun 1, 2025

• Added configs to flit package

  muhrin

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• Set tensorial version to github repo for now

  muhrin

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• Dummy commit to get tests to pass

  muhrin

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  327d0c8

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• Added basis configuration tests

  muhrin

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  a4112c6

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• Removed python 3.9 tests

  muhrin

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  ca3290d

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• Cleaned up, removed old files, fixed linting issues

  muhrin

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  c8e5911

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• Updated python versions, license, CI workflow, etc

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  muhrin

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• Removed unused code

  muhrin

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Commits on May 21, 2025

• Removed some unnecessary files

  muhrin

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Commits on Apr 25, 2025

• First version of e3response

  muhrin

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