Markus Stricker
Markus Stricker
Additional info: We are currently using the `atom_tag`, which is a unique integer, as a criterion to sort e.g. neighbourlists to minimal neighbourlists. While working currently, the safer option for...
It should be possible to change the iteration decision to e.g. a start index with offset to avoid the self pair included in the triplet list by an int conversion...
Additional info: The resp. line is referenced. Proposition is that instead of checking for self pairs or not, the iteration over all the pairs while building >2 Order clusters should...
Sorry, was not intentional. I read it again while commenting and missed the part of the debug and though I only closed my comment, but apparently I closed the issue....
Just adding things I see as time consumers here for reference once the works starts: - `rascal::kernerls_test::multiple_kernel_compute_test` - `rascal::internal::read_binary_file` seems to take an awful lot of time for a 300kb...
Just to chip in: I like the idea in general. Seems like a clean way to do this. Even add different levels of verbosity But I also tend to agree...
Yeah, that's what I mean - _if_ we can. I put it in the meeting minutes.
I do see a point, especially in logging levels. And I do not see an easy way to do that with the redirect. Let's discuss tomorrow.
I would like to discuss this also in the meeting. I'll put it in the minutes. Quickly here: I do like the structure, especially of the python-side notebook. There should...
I am not saying you intentionally omitted it. Just trying to provide feedback from my perspective. Maybe we could make that section something like: #### Transition from other libraries >...