jlgh

Tools for building Cluster Expansion Hamiltonians for surface chemistry using python’s Atomistic Simulation Environment (ASE).

Requires

python-ase struformat (non available)

Name		Name	Last commit message	Last commit date
Latest commit History 45 Commits
tests		tests
.gitignore		.gitignore
README.org		README.org
__init__.py		__init__.py
_old_init.py		_old_init.py
cluster.py		cluster.py
optim.py		optim.py
types.py		types.py
utils.py		utils.py