0.14.3
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
). #636added Geometry.as_supercell to create the supercell structure, thanks to @pfebrer for the suggestion
added Lattice.to and Lattice.new to function the same as Geometry, added Lattice.to[“Cuboid”]
added Atom.to, currently only to.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.
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 (not Grid), 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.
instead to reduce the number of methods exposed on each sile.