ASE calculator for moment tensor potential.
Need to install ase and mlip-2. MTP is developed by Alex Shapeev and now fully open source.
from mtp import MTP
from ase.io import read
calc = MTP(mtp='pot.mtp', unique_elements=['Fe', 'Co', 'Ni', 'Cr', 'Al'])
atoms = read('example.traj')
atoms = atoms.repeat(6)
atoms.calc = calc
# print(len(atoms))
print(atoms.get_forces())
print(atoms.get_potential_energy())
print(atoms.get_stress())
# atoms.write('sp.traj')