Pol Febrer Calabozo
Pol Febrer Calabozo
Now that we are updating things in categories, I think for this (and maybe other cases) it could be very useful that categories had an `apply` method that will execute...
> Problem is that if you start changing the geometry state while holding a list of indices etc, stuff may change unexpectedly. Why do you need to change the state...
> No problem! :) @tfrederiksen I need permission to push to the branch to be able to update the PR :)
> Yes, these corner cases are abundant. My best idea is to force parent to contain the geometry in some on the fly class. Yes, I would say that's a...
```python class GeometryGetter: def __get__(self, instance, owner): if instance is not None and hasattr(instance, 'parent'): if isinstance(instance.parent, Geometry): return instance.parent return instance.parent.geometry ``` and add it as a class attribute...
> in any case it would be good to explicitly fail (to notify users of bad behaviour), no? Yes, but I would prefer it to be fixed at least in...
No, no. Of course if you need `parent` to be a sparse matrix an error should be raised. But in this case you don't need it, right? You just need...
Hmm not to `EigenstateElectron.wavefunction`. And you can't call `sisl.physics.electron.wavefunction` because you need to change the gauge to `"R"`. You also can not pass a geometry to `change_gauge` so you'd have...
> Then just call it your-self :) But I can't, because I have to change the gauge. And I can't simply call `state.change_gauge()` because this looks for `self.parent.geometry`. So I...