Pol Febrer Calabozo
Pol Febrer Calabozo
I recently upgraded to jupyter notebook v7 and I noticed that some plotly plots that previously rendered flawlessly now fail to render. I get the following output: ![Screenshot from 2023-08-22...
**Is your feature request related to a problem? Please describe.** I'm trying to migrate from `scikit-optimize` to this package because it seems more actively maintained. However, in `scikit-optimize` the default...
Hi! Thanks for the package, it is very nice! It seems odd to me that when calling `show` a file is written to disk. I wrote my own show function...
In our documentation, we have some notebooks rendered by `nbsphinx` which include plotly plots. The output cells of the notebook include the full plotly javascript library. When we use sphinx's...
When the wavefunction is computed in the water tutorial: https://sisl.readthedocs.io/en/latest/tutorials/tutorial_siesta_1.html It gives a warning of atoms not being in the unit cell and the wavefunction doesn't integrate to 1. Previously...
I would like to add a method to interpolate values from a `Grid`, given some coordinates. I have looked into it and it seems like the way to go is...
Following discussion in #688 I think it would be nice that categories facilitated classification. Imagine you have three categories `cat1`, `cat2` and `cat3`. There could be a nice way of...
Related to #606. This PR tries to convert the `sisl_toolbox` CLI to typer. More importantly, it tries to create a framework for sisl CLIs to be created from type hints....
Atom categories are very powerful to select atoms, but they are not documented at all on the HTML documentation.
**Describe the bug** The supercell indices that `within_inf` returns are for the atoms translated to the unit cell, is this intended? **Code to reproduce problem** ```python import numpy as np...