v0.14.3

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.<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 (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.<attr> instead to reduce
  the number of methods exposed on each sile.