-
-
Notifications
You must be signed in to change notification settings - Fork 60
Commit
This commit does not belong to any branch on this repository, and may belong to a fork outside of the repository.
Signed-off-by: Nick Papior <[email protected]>
- Loading branch information
Showing
4 changed files
with
74 additions
and
2 deletions.
There are no files selected for viewing
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
Original file line number | Diff line number | Diff line change |
---|---|---|
|
@@ -27,6 +27,7 @@ between versions. | |
.. toctree:: | ||
:maxdepth: 1 | ||
|
||
v0.14.3 | ||
v0.14.2 | ||
v0.14.0 | ||
v0.13.0 | ||
|
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
Original file line number | Diff line number | Diff line change |
---|---|---|
@@ -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.<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. |
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
Original file line number | Diff line number | Diff line change |
---|---|---|
@@ -0,0 +1,3 @@ | ||
wavefunction | ||
sisl | ||
|