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Published September 11, 2024 | Version v0.15.1
Software Open

sisl

Description

Released 10 of September 2024.

Contributors

A total of 2 people contributed to this release. People with a "+" by their names contributed a patch for the first time.

  • Nick Papior
  • Pol Febrer

Pull requests merged

A total of 5 pull requests were merged for this release.

  • #819: Make sure wheels are uploaded to pypi
  • #822: Bump pypa/gh-action-pypi-publish from 1.9.0 to 1.10.0
  • #823: Fix orbital values
  • #824: Bump pypa/gh-action-pypi-publish from 1.10.0 to 1.10.1
  • #825: Bump JamesIves/github-pages-deploy-action from 4.6.3 to 4.6.4

Added

  • enabled lowdin to return the Lowdin transformation matrix, and also allow it to be calculated using SVD

Fixed

  • bugfix for wrong call Lattice.to.cuboid which caused wrong densities, #821

Notes

Please cite sisl in any paper to acknowledge and support development.

Files

zerothi/sisl-v0.15.1.zip

Files (3.5 MB)

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md5:53e2e1f507a35d788aeb32e0d63e19a5
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Additional details

Related works

Is supplement to
Software: https://github.com/zerothi/sisl/tree/v0.15.1 (URL)