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| 1 | + |
| 2 | +Released 7 of November 2023. |
| 3 | + |
| 4 | + |
| 5 | +Contributors |
| 6 | +============ |
| 7 | + |
| 8 | +A total of 2 people contributed to this release. People with a "+" by their |
| 9 | +names contributed a patch for the first time. |
| 10 | + |
| 11 | +* Nick Papior |
| 12 | +* Pol Febrer |
| 13 | + |
| 14 | +Pull requests merged |
| 15 | +==================== |
| 16 | + |
| 17 | +A total of 11 pull requests were merged for this release. |
| 18 | + |
| 19 | +* #627: Update DEPLOY.md with pyodide instructions |
| 20 | +* #628: maint: allow stopping traversal of node trees |
| 21 | +* #629: Lattice is now owning the boundary conditions |
| 22 | +* #630: Included missing notebook in the viz docs |
| 23 | +* #631: Added Info attributes to ascii class files |
| 24 | +* #634: fixed #633 due to weird combination of boundary lookups |
| 25 | +* #635: added an as_supercell which returns geometry in supercell |
| 26 | +* #636: Honeycomb flakes |
| 27 | +* #637: Optionally avoid custom node errors. |
| 28 | +* #639: Black linting |
| 29 | +* #642: Deprecated xarray argument |
| 30 | + |
| 31 | +[0.14.3] - 2023-11-07 |
| 32 | +---------------------- |
| 33 | + |
| 34 | +Added |
| 35 | +^^^^^^ |
| 36 | +* Creation of honeycomb flakes (`sisl.geom.honeycomb_flake`, |
| 37 | + `sisl.geom.graphene_flake`). #636 |
| 38 | +* added `Geometry.as_supercell` to create the supercell structure, |
| 39 | + thanks to @pfebrer for the suggestion |
| 40 | +* added `Lattice.to` and `Lattice.new` to function the same |
| 41 | + as `Geometry`, added Lattice.to["Cuboid"] |
| 42 | +* added `Atom.to`, currently only `to.Sphere()` |
| 43 | +* enabled `Geometry.to|new.Sile(...)` |
| 44 | +* added logging in some modules, to be added in more stuff to allow easier |
| 45 | + debugging. |
| 46 | +* marked all `toSphere|toEllipsoid|...` as deprecated |
| 47 | +* a simple extensionable method to add `Sile.info.<attr>` by exposing |
| 48 | + attributes through an object on each class. |
| 49 | + The _info_attributes_ contains a list of attributes that can be |
| 50 | + discovered while reading ascii files see #509 |
| 51 | + |
| 52 | +Fixed |
| 53 | +^^^^^^ |
| 54 | +* fixed cases where `Geometry.close` would not catch all neighbours, #633 |
| 55 | + |
| 56 | +Changed |
| 57 | +^^^^^^^^ |
| 58 | +* sisl now enforces the black style |
| 59 | +* `Lattice` now holds the boundary conditions (not `Grid`), see #626 |
| 60 | +* Some siles exposed certain properties containing basic information |
| 61 | + about the content, say number of atoms/orbitals etc. |
| 62 | + These will be moved to `sile.info.<attr>` instead to reduce |
| 63 | + the number of methods exposed on each sile. |
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