diff --git a/CHANGELOG.md b/CHANGELOG.md index d2c621e6f..8ce2126f1 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -5,11 +5,16 @@ The format is based on [Keep a Changelog](https://keepachangelog.com/en/1.0.0/), and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0.html) once we hit release version 1.0.0. -## [0.14.3] - YYYY-MM-DD + +## [0.14.4] - YYYY-MM-DD + + + +## [0.14.3] - 2023-11-07 ### Added - Creation of honeycomb flakes (`sisl.geom.honeycomb_flake`, -`sisl.geom.graphene_flake`). #636 + `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 diff --git a/docs/changelog/index.rst b/docs/changelog/index.rst index e80e2a881..8c3f73e48 100644 --- a/docs/changelog/index.rst +++ b/docs/changelog/index.rst @@ -27,6 +27,7 @@ between versions. .. toctree:: :maxdepth: 1 + v0.14.3 v0.14.2 v0.14.0 v0.13.0 diff --git a/docs/changelog/v0.14.3.rst b/docs/changelog/v0.14.3.rst new file mode 100644 index 000000000..2d4acf4bf --- /dev/null +++ b/docs/changelog/v0.14.3.rst @@ -0,0 +1,63 @@ + +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. diff --git a/docs/spelling_wordlist.txt b/docs/spelling_wordlist.txt new file mode 100644 index 000000000..155ef5524 --- /dev/null +++ b/docs/spelling_wordlist.txt @@ -0,0 +1,3 @@ +wavefunction +sisl +