Nick Papior
Nick Papior
Otherwise we should have specific methods to call the necessary methods, in this way arguments can be added *as needed*. Using `*` and `@` will not allow one to pass...
> Personally, I think there shouldn't be an `innerprod` operator... So, to get inner/outer products of operators one could simply do: > > ```python > import sisl.operator as si_op >...
What did you try? What table of the stress wasn't read? There are some tests for these things, so I am wondering if you called it wrongly, or the output...
It's because that MD simulations has the stress tensor duplicated. So you should add `read_stress(skip_final=False)` to force it to return the last one. Perhaps the sile should figure out if...
> Ah, ok. In principle, it would be nice if there was a reader for out files for MD returning values for each step in the out. There already is:...
@mbrandbyge could you share the file? I am trying to streamline the process, and I think I have the solution, just need the output to test it on!
Yeah, I have these all over. The main idea is that users react to this and start converting their code. We have to deprecate them sometimes. And since we don't...
What we aim with sisl is to develop towards an API stable solution (semver). Until then I would say we have some leverage to work under. The counter argument is...
Currently it will stay until 17, so I would assume people to react to this, we can close this because the deprecation warnings are searchable!
Isn't this resolved through #839?