There is a newer version of the record available.

Published January 19, 2024 | Version v2.7.0
Software Open

wangenau/eminus: v2.7.0

Authors/Creators

  • 1. ROR icon Friedrich Schiller University Jena
  • 2. ROR icon Taiwan Semiconductor Manufacturing Company (Taiwan)
  • 3. ROR icon Center for Advanced Systems Understanding

Description

  • New features
    • Add k-points!
      • Add k-point dependent calculations
      • Add a k-points object
      • Add a band structure, k-point, and Brillouin zone viewer
      • Add minimization functions for fixed Hamiltonians
    • Add a symmetry extra to symmetrize k-points
  • Updated docs
    • Add k-point examples
    • Increase coverage precision
  • Coding style
    • Activate several Ruff rules
    • Lint check notebooks
    • Rewrite operator handling
    • Add a lot of new tests
  • Miscellaneous
    • Add a contour line viewer
    • Plot lattice vectors in the view_atoms function
    • Add a NixOS CI test
    • Add a Nix lock file
    • Use Python 3.12 as the CI base image
    • Move Matplotlib to dev extras
    • Unpin the notebook version
    • Small performance improvements, e.g, in Atoms object creation
  • Experimental
    • Smearing functionalities
    • Density of states function

Files

wangenau/eminus-v2.7.0.zip

Files (15.2 MB)

Name Size Download all
md5:54c4c3f136c76bf5196b7f59587dfc7c
15.2 MB Preview Download

Additional details

Related works

Is identical to
https://gitlab.com/wangenau/eminus (URL)