Published November 7, 2023
| Version v0.14.3
Software
Open
sisl
Creators
Description
Released 7 of November 2023.
Contributors
A total of 2 people contributed to this release. People with a "+" by their names contributed a patch for the first time.
- Nick Papior
- Pol Febrer
Pull requests merged
A total of 11 pull requests were merged for this release.
- #627: Update DEPLOY.md with pyodide instructions
- #628: maint: allow stopping traversal of node trees
- #629: Lattice is now owning the boundary conditions
- #630: Included missing notebook in the viz docs
- #631: Added Info attributes to ascii class files
- #634: fixed #633 due to weird combination of boundary lookups
- #635: added an as_supercell which returns geometry in supercell
- #636: Honeycomb flakes
- #637: Optionally avoid custom node errors.
- #639: Black linting
- #642: Deprecated xarray argument
[0.14.3] - 2023-11-07
Added ^^^^^^
- Creation of honeycomb flakes (
sisl.geom.honeycomb_flake
,sisl.geom.graphene_flake
). #636 - added
Geometry.as_supercell
to create the supercell structure, thanks to @pfebrer for the suggestion - added
Lattice.to
andLattice.new
to function the same asGeometry
, added Lattice.to["Cuboid"] - added
Atom.to
, currently onlyto.Sphere()
- enabled
Geometry.to|new.Sile(...)
- added logging in some modules, to be added in more stuff to allow easier debugging.
- marked all
toSphere|toEllipsoid|...
as deprecated - a simple extensionable method to add
Sile.info.<attr>
by exposing attributes through an object on each class. The info_attributes contains a list of attributes that can be discovered while reading ascii files see #509
Fixed ^^^^^^
- fixed cases where
Geometry.close
would not catch all neighbours, #633
Changed ^^^^^^^^
- sisl now enforces the black style
Lattice
now holds the boundary conditions (notGrid
), see #626- Some siles exposed certain properties containing basic information
about the content, say number of atoms/orbitals etc.
These will be moved to
sile.info.<attr>
instead to reduce the number of methods exposed on each sile.
Other
If you use the sisl software, please cite it using this metadata.Files
zerothi/sisl-v0.14.3.zip
Files
(3.3 MB)
Name | Size | Download all |
---|---|---|
md5:70bc921132dc376898fcecc6341568fd
|
3.3 MB | Preview Download |
Additional details
Related works
- Is supplement to
- Software: https://github.com/zerothi/sisl/tree/v0.14.3 (URL)