zerothi/sisl: v0.13.0 ...

• Main Authors: Papior, Nick, Febrer, Pol, Frederiksen, Thomas, Wittemeier, Nils, Kole, Arnold
• Format: Article in Journal/Newspaper
• Language: English
• Published: Zenodo 2023
• Subjects: Nils; The ''Y''; Orca
• Online Access: https://dx.doi.org/10.5281/zenodo.7567793; https://zenodo.org/record/7567793

Released 18 of January 2023. Contributors ============ A total of 5 people contributed to this release. People with a "+" by their names contributed a patch for the first time. * A.H. Kole * Nick Papior * Nils Wittemeier + * Pol Febrer * Thomas Frederiksen Pull requests merged ==================== A total of 18 pull requests were merged for this release. * #487: Fix issue 486 - in correct sign of the y component of the spin... * #489: bug: fixed #488 with the cell order * #494: enh: enabling reading of file-handles and StringIO * #498: 495 deprecation * #499: Easy construction of hydrogenic orbitals * #500: Reading output from ORCA * #503: Plotly is incompatible with ipywidgets 8.x * #504: Allow reading forces from transiesta in output file * #508: New keywords in `step_to()` * #510: Add CodeQL workflow for GitHub code scanning * #511: Possible bug: within_inf with periodic=False returns sc atoms... * #514: Surface slab geometries: clarify `vacuum=None` as a possibility... * #515: doc: fixed indices in sums ...