****** 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`). #636 * added `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.