Published November 21, 2025 | Version v3.2.1
Software Open

wangenau/eminus: v3.2.1

Authors/Creators

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

Description

  • Miscellaneous
    • Fix meta-GGAs evaluation when using Torch with opt-einsum
    • Indicate dn_spin as non-optional in GGA functionals
    • Many type hint improvements
      • Properly type decorators
    • Use Python 3.14 as the CI base image
    • Small TOML improvements to satisfy Scientific Python recommendations

Files

wangenau/eminus-v3.2.1.zip

Files (4.6 MB)

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Additional details

Related works

Is identical to
Software: https://gitlab.com/wangenau/eminus (URL)
Is published in
Journal article: 10.1016/j.softx.2025.102035 (DOI)

Software

Repository URL
https://github.com/wangenau/eminus