Merge pull request #293 from ACEsuit/develop

edit readme example for foundation models

README.md

@@ -186,8 +186,8 @@ from mace.calculators import mace_mp
 from ase import build
 
 atoms = build.molecule('H2O')
-calc = mace_mp(model="medium", device='cuda')
-atoms.set_calculator(calc)
+calc = mace_mp(model="medium", dispersion=False, default_dtype="float32", device='cuda')
+atoms.calc = calc
 print(atoms.get_potential_energy())
 ```
 
@@ -204,7 +204,7 @@ from ase import build
 
 atoms = build.molecule('H2O')
 calc = mace_off(model="medium", device='cuda')
-atoms.set_calculator(calc)
+atoms.calc = calc
 print(atoms.get_potential_energy())
 ```