Hi! I've just uploaded ase-3.13.0rc1 to PyPI. I would love as many of you to install it and try it out on some of the things you use ASE for: $ pip install ase --pre --user or $ pip3 install ase --pre --user See (incomplete) list of changes since 3.12 here: https://wiki.fysik.dtu.dk/ase/releasenotes.html#git-master-branch Jens Jørgen