ase.db

[andrew_peterson]

I suspect our ase.db interface in utilities.hash_images is broken. I've noticed that if I create a database with more than one image, then try to open it with io.read('file.db'), that it crashes with an error about more than one row matching. This is the syntax used in hash_images.

This was in the newest version of ase --- I suspect something changed on the ase end so we might have to try an old version to see what the old behavior was.

I think this is our only means of training / saving with data with mixed numbers of atoms.

[andrew_peterson]

Put a workaround into Amp in commit 4f333d9. I also filed a bug with ASE, so we may be able to return to the old syntax if we want to.