overly restrictive data file suffix requirements about mace HOT 12 CLOSED

You are completely right. This should be much better handled.

from mace.

We definitly should add an assert including other extensions. What other extensions can it support?

from mace.

Tens of them, but not all support quantities such as energies/forces/etc. And anyway, why an assert? Why not let it raise an exception if it can't handle it?

from mace.

https://wiki.fysik.dtu.dk/ase/ase/io/io.html

from mace.

I am fine with removing the asserts. @davkovacs What do you think?

from mace.

I can fix this.

from mace.

d569918

from mace.

I will close this when you say the fix is okay.

from mace.

I put in some comments on the commit, but there's no corresponding PR yet.

from mace.

Can I close this issue?

from mace.

Fine by me, yes.

from mace.

Closing, looks fine.

from mace.