ASE

Description:

ASE Version: 3.16.0. The Atomic Simulation Environment (ASE) is a set of tools and Python modules for setting up, manipulating, running, visualizing and analyzing atomistic simulations.

Website:

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

Reference:

If you find ASE useful in your research please cite S.R. Bahn and K. W. Jacobsen An object-oriented scripting interface to a legacy electronic structure code Comput. Sci. Eng., Vol. 4, 56-66, 2002

License:

GNU Lesser General Public License version 2.1

See https://wiki.fysik.dtu.dk/ase/about.html