# python-ase

An ACE1 potential can be used in python as an ase calculator. To do this, you will need to install two python packages, julia and pyjulip as documented on the installation page.

Python reads the potential.json file directly. To load and use an ACE potential, use the following syntax:

import pyjulip
calc = pyjulip.ACE1("first_potential.json")

evaluation is then:

ats = ase.io.read('atoms_object.xyz')
ats.calc = calc
print(ats.get_potential_energy())

See the ase documentation for more details.