Comparison between this and `ase.io.read`/`write`

[Linux-cpp-lisp]

Hello,

Superficially, it seems like this should be a drop-in replacement for ase.io.read/write that just moves the parsing into C for speed (which is great!). Are there any pitfalls or other considerations, however, to be aware of when replacing ase.io.read/write with libextxyz?

Thanks!

[cortner]

Hi Alby - my understanding is that this is indeed how it is intended, but I think only @jameskermode can say more with confidence.

[jameskermode]

Yes, that’s right, although note there are some slight changes to the syntax. This implementation follows the specification set out in the readme, while the ase.io one is not formalised.

We intend to switch over ASE to use this library before too long.