Atomic Simulation Environment
11 11 17 - Filed in: computational chemistry
The Atomic Simulation Environment (ASE) is a set of tools and Python modules for setting up, manipulating, running, visualizing and analyzing atomistic simulations. The code is freely available under the GNU LGPL license.
- Python 2.7, 3.4-3.6
- For ase.gui: Matplotlib (2D Plotting)
It can be installed using PIP
pip install --upgrade --user ase
Full details of the MacOSX installation are here.