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Anywidgets and update deps #322

Merged
merged 33 commits into from
May 21, 2024
Merged

Anywidgets and update deps #322

merged 33 commits into from
May 21, 2024

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eimrek
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@eimrek eimrek commented Apr 10, 2024

Hi, as discussed, I did the following:

  • updated all dependencies to latest versions and pinned them to the minor versions according to the versions of the resulting pip freeze
  • updated the band-theory/brillouin_zone.ipynb:
    • used the new anywidget version of the BZVisualizer.
      • works well, apart from reseting the orientation when new data is loaded. I currently don't have time to reimplement this, perhaps it's not too big of an issue?
  • updated the band-theory/free_electron.ipynb:
    • new BZVisualizer (the same orientation reset issue).
    • replaced the band structure visualizer with the anywidget version of widget-bandsplot.
      • works well, apart from the bottom-most band being colored red.
    • There was also unused code about some sliders to tune k-points and G-vectors.
      • removed it for now.
      • also removed a text in the "Legend section" that mentioned these sliders.

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Binder 👈 Launch a Binder on branch osscar-org/quantum-mechanics/anywidgets-and-update-deps

Dou Du and others added 7 commits April 27, 2024 15:47
fix the pseudopotential bugs
58f899d
@Taylor-96
Fixed matplotlib errors in one quantum well notebook.
bec1f61
@Taylor-96
Fixed matplotlib errors in two quantum wells notebook.
107f406
@Taylor-96
Fixed matplotlib issues in asymmetric well.
7a68b67
@Taylor-96
Fixed matplotlib errors in shooting method notebook. Resolved issue w…
e22b3f4 
…ith using nested boxes in voila for displaying widgets side-by-side by using AppLayout instead.
@Taylor-96
Merging updates made to FFT and planewaves from earlier and bundling …
e5ebb90 
…together with PRs fixing matplotlib errors. Mostly changes to text.
@giovannipizzi @Taylor-96 @eimrek
Free electron band structure (#321)
e85fa94 
* Some modifications to the text of the free electron notebook and its associated theory notebook.

* Added warning that figure may take some time to load when changing lattice type.

* Further modifications to text. Brought layout into standard format.

* Fixing the question number 3 and the lattice parameter of the SC lattice

---------

Co-authored-by: Taylor <[email protected]>
Co-authored-by: Kristjan Eimre <[email protected]>
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Binder 👈 Launch a Binder on branch osscar-org/quantum-mechanics/anywidgets-and-update-deps

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Binder 👈 Launch a Binder on branch osscar-org/quantum-mechanics/anywidgets-and-update-deps

@Taylor-96
Merge pull request #326 from osscar-org/2quantum_wells
59ced2e 
Fixed matplotlib errors in two quantum wells notebook.
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Binder 👈 Launch a Binder on branch osscar-org/quantum-mechanics/anywidgets-and-update-deps

@Taylor-96
Merge pull request #327 from osscar-org/asymmetric_well_review
f91fc72 
Fixed matplotlib issues in asymmetric well.
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Binder 👈 Launch a Binder on branch osscar-org/quantum-mechanics/anywidgets-and-update-deps

@Taylor-96
Merge pull request #329 from osscar-org/shooting_method_review
e966bb1 
Fixed matplotlib errors in shooting method notebook. Resolved issue w…
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Binder 👈 Launch a Binder on branch osscar-org/quantum-mechanics/anywidgets-and-update-deps

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Binder 👈 Launch a Binder on branch osscar-org/quantum-mechanics/anywidgets-and-update-deps

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Binder 👈 Launch a Binder on branch osscar-org/quantum-mechanics/anywidgets-and-update-deps

@Taylor-96
Merging changes from the dos branch (reworked the layout of the dos n…
69d48b3 
…otebook to show bandstructure instead of k-point mesh, allowed for variation of G-vectors, modified questions, etc).
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Binder 👈 Launch a Binder on branch osscar-org/quantum-mechanics/anywidgets-and-update-deps

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github-actions bot commented May 6, 2024

Binder 👈 Launch a Binder on branch osscar-org/quantum-mechanics/anywidgets-and-update-deps

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Binder 👈 Launch a Binder on branch osscar-org/quantum-mechanics/anywidgets-and-update-deps

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Binder 👈 Launch a Binder on branch osscar-org/quantum-mechanics/anywidgets-and-update-deps

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@Taylor-96
Workaround for issue in which play box doesn't appear in Voila. Set a…
dbb464f 
…rrows to default. Reverted to gamma point (could change in future). Fixed links to source code.
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@Taylor-96
Made default selected k-point in 2d phonon notebook more illuminating…
247dc43 
…, added arrows by default, added background theory sections to all notebooks, fixed links.
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@Taylor-96
Merged textual changes from mol vibration branch. Also fixed some for…
b471b03 
…matting issues still present in mol vibration notebook.
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@Taylor-96
Merged textual changes from phonon1d branch. Set default k-point away…
97deb91 
… from gamma in a way that works with workaround for voila. Made arrows a bit smaller.
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@dou-du dou-du merged commit a3fab03 into master May 21, 2024
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@eimrek eimrek deleted the anywidgets-and-update-deps branch May 21, 2024 13:56
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@eimrek @dou-du @Taylor-96 @giovannipizzi