Michele Ceriotti

Results 139 comments of Michele Ceriotti

I have no objection, can you cherry-pick this into this branch? On Thu, 1 Jul 2021 at 17:45, agoscinski ***@***.***> wrote: > Could we add this small change > >...

Which four lines? I think it's better if you add them because I don't understand what they do, while it seems you do Michele On Fri, 2 Jul 2021 at...

So I'd be OK if we could set it to be an actual zero - having the baseline output a vector of zeros with the appropriate shape seems to be...

If you actually have fetched the repo, just do `pip install .` from the root folder

check that you actually didn't `pip install rascal` - there is a library on pip with that name and that might interfere with the namespace.

While we are doing this, I think there's a more transparent way to encode nparrays, if I'm not mistaken. I find this tolist() a bit burdensome On Tue, 15 Jun...

boh, it's an additional conversion that people need to do. I was wondering if we could use a custom encoder, similar to what they do here, second answer https://stackoverflow.com/questions/26646362/numpy-array-is-not-json-serializable On...

Hi @OndrejMarsalek and @tomspur. So I think there are several issues here. One is the binady/IO + abstract input class machinery, that deals with the file formats you can read...

Implemented through #312 (and previous PRs)

@IamSAL done. I suggest you fork and open a draft PR to work on. We should figure out with @Luthaf how to allow everyone to test this. Thanks in advance...