Issues

• Double check scipy.sparse shorthand matrix creation routines

  zerothi/sisl#1031 · Filter by author nicpa-dtu opened on Oct 23, 2026

• Inconsistent argument order

  zerothi/sisl#938 · Filter by author zerothi opened on Aug 9, 2025

• Geometry.new methods not properly documented online

  zerothi/sisl#935 · Filter by author pfebrer opened on Jul 9, 2025

• Kubo formulas

  zerothi/sisl#931 · Filter by author zerothi opened on Jun 16, 2025

• surface green's function in an arbitrary direction

  zerothi/sisl#925 · Filter by author apezol opened on May 28, 2025
  1

• Downscaling from SOC to NC does not take avg of ud/du to ensure Hermitian

  zerothi/sisl#923 · Filter by author zerothi opened on May 28, 2025

• Z matrix

  zerothi/sisl#883 · Filter by author zerothi opened on Jan 9, 2025

• pixi support

  zerothi/sisl#879 · Filter by author zerothi opened on Dec 4, 2024

• Densities and grids are not converting correct units

  zerothi/sisl#854 · Filter by author zerothi opened on Oct 25, 2024
  1

• Handling different order arguments for sub-calls in fdf reads

  zerothi/sisl#841 · Filter by author zerothi opened on Oct 10, 2024

• Layout of DynamicalMatrix

  zerothi/sisl#831 · Filter by author tfrederiksen opened on Sep 27, 2024
  1

• Generalized Operators

  zerothi/sisl#816 · Filter by author zerothi opened on Aug 1, 2024
  6

• Allow a caching object that can cache specific entries

  zerothi/sisl#815 · Filter by author zerothi opened on Aug 1, 2024
  6

• Minor terms missing for off-diagonal derivative calculations

  zerothi/sisl#813 · Filter by author zerothi opened on Jul 30, 2024

• In ORCA 6 _property.txt -> .property.txt

  zerothi/sisl#810 · Filter by author zerothi opened on Jul 26, 2024
  2

• Allow State.degenerate_decouple

  zerothi/sisl#802 · Filter by author zerothi opened on Jun 28, 2024

• Merging Atom/Orbital etc.

  zerothi/sisl#775 · Filter by author zerothi opened on May 22, 2024
  1

• Disentangle overlap matrix and *other matrices*

  low-priority
  zerothi/sisl#770 · Filter by author zerothi opened on May 14, 2024

• Streamlining spin/index arguments on read_grid methods

  medium-priority
  zerothi/sisl#756 · Filter by author zerothi opened on Apr 22, 2024

• Change CLI to click

  zerothi/sisl#735 · Filter by author zerothi opened on Mar 27, 2024
  1

• fhi-aims hamiltonian

  zerothi/sisl#694 · Filter by author zerothi opened on Feb 29, 2024
  4

• Automatic identification of rings in sisl.Geometry()

  zerothi/sisl#688 · Filter by author ialcon opened on Feb 22, 2024
  24

• Generalize categorizes (keep state, etc.)

  zerothi/sisl#687 · Filter by author zerothi opened on Feb 21, 2024
  27

• Document categories.

  zerothi/sisl#674 · Filter by author pfebrer opened on Jan 22, 2024
  1

• Associated data in a general way? After #665

  zerothi/sisl#671 · Filter by author zerothi opened on Jan 18, 2024