Queries and ideas: whether rascaline.torch.LodeSphericalExpansion() supports GPUs, and the format of the output aligned with e3nn

[clecust]

Idea: the format of the output of rascaline.torch.LodeSphericalExpansion() is aligned with e3nn:

I am interested in combining rascaline.torch.LodeSphericalExpansion() with e3nn(https://github.com/e3nn/e3nn). Both methods are based on spherical harmonics and satisfy the equivariant property. However, inconsistencies in output formats arise, especially when max_radial is greater than 1.

Here is the output format of e3nn:

Irreps("1x0e + 1x1o + 1x0e + 1x1o")

This is another example of e3nn:

Irreps("2x0e + 2x1o ")

Aligning the output formats, particularly for higher-order equivariant models, would enhance compatibility between rascaline and e3nn frameworks. Your assistance in resolving these issues would be highly beneficial, not only for my use case but also for encouraging more users to seamlessly combine these powerful frameworks.

Thank you for your consideration.