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preparing for 0.14.3
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Signed-off-by: Nick Papior <[email protected]>
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zerothi committed Nov 7, 2023
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9 changes: 7 additions & 2 deletions CHANGELOG.md
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Expand Up @@ -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
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1 change: 1 addition & 0 deletions docs/changelog/index.rst
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Expand Up @@ -27,6 +27,7 @@ between versions.
.. toctree::
:maxdepth: 1

v0.14.3
v0.14.2
v0.14.0
v0.13.0
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63 changes: 63 additions & 0 deletions docs/changelog/v0.14.3.rst
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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.
3 changes: 3 additions & 0 deletions docs/spelling_wordlist.txt
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wavefunction
sisl

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