Search results

Convert to csr_array (internally)

Status: Open.

#902 In zerothi/sisl;

· zerothi opened on Mar 13, 2025

Bump to 3.10 requirement in October

Status: Open.

#894 In zerothi/sisl;

· zerothi opened on Feb 20, 2025

Adaptive integration

Status: Open.

#891 In zerothi/sisl;

· AleksBL opened on Feb 11, 2025

1 comment

Unpacking TRS Monkhorst-Pack k-grids for full data

Status: Open.

#886 In zerothi/sisl;

· zerothi opened on Jan 20, 2025

Z matrix

Status: Open.

#883 In zerothi/sisl;

· zerothi opened on Jan 9, 2025

Changing default in a2o(all=False) to a2o(all=True)

Status: Open.

#882 In zerothi/sisl;

· zerothi opened on Dec 20, 2024

pixi support

Status: Open.

#879 In zerothi/sisl;

· zerothi opened on Dec 4, 2024

Feedback on API, project=, projection=, other?

Status: Open.

#874 In zerothi/sisl;

· zerothi opened on Nov 22, 2024

Densities and grids are not converting correct units

Status: Open.

#854 In zerothi/sisl;

· zerothi opened on Oct 25, 2024

1 comment

Handling different order arguments for sub-calls in fdf reads

Status: Open.

#841 In zerothi/sisl;

· zerothi opened on Oct 10, 2024

Layout of DynamicalMatrix

Status: Open.

#831 In zerothi/sisl;

· tfrederiksen opened on Sep 27, 2024

1 comment

Generalized Operators

Status: Open.

#816 In zerothi/sisl;

· zerothi opened on Aug 1, 2024

6 comments

Allow a caching object that can cache specific entries

Status: Open.

#815 In zerothi/sisl;

· zerothi opened on Aug 1, 2024

6 comments

Don't remove Atoms.specie

Status: Open.

#814 In zerothi/sisl;

· pfebrer opened on Aug 1, 2024

3 comments

Minor terms missing for off-diagonal derivative calculations

Status: Open.

#813 In zerothi/sisl;

· zerothi opened on Jul 30, 2024

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

Status: Open.

#810 In zerothi/sisl;

· zerothi opened on Jul 26, 2024

2 comments

Allow State.degenerate_decouple

Status: Open.

#802 In zerothi/sisl;

· zerothi opened on Jun 28, 2024

Merging Atom/Orbital etc.

Status: Open.

#775 In zerothi/sisl;

· zerothi opened on May 22, 2024

1 comment

Disentangle overlap matrix and *other matrices*

low-priority

Status: Open.

#770 In zerothi/sisl;

· zerothi opened on May 14, 2024

Streamlining spin/index arguments on read_grid methods

medium-priority

Status: Open.

#756 In zerothi/sisl;

· zerothi opened on Apr 22, 2024

Change CLI to click

Status: Open.

#735 In zerothi/sisl;

· zerothi opened on Mar 27, 2024

1 comment

fhi-aims hamiltonian

Status: Open.

#694 In zerothi/sisl;

· zerothi opened on Feb 29, 2024

4 comments

Automatic identification of rings in sisl.Geometry()

Status: Open.

#688 In zerothi/sisl;

· ialcon opened on Feb 22, 2024

24 comments

Generalize categorizes (keep state, etc.)

Status: Open.

#687 In zerothi/sisl;

· zerothi opened on Feb 21, 2024

27 comments

Document categories.

Status: Open.

#674 In zerothi/sisl;

· pfebrer opened on Jan 22, 2024

1 comment