From 7532bfb7f5f93f49d41fff88733b45fd9aaf0f21 Mon Sep 17 00:00:00 2001
From: Ilyes Batatia <48651863+ilyes319@users.noreply.github.com>
Date: Fri, 12 Jan 2024 14:46:10 +0000
Subject: [PATCH] edit readme example

---
 README.md | 6 +++---
 1 file changed, 3 insertions(+), 3 deletions(-)

diff --git a/README.md b/README.md
index 2567e359..064128fd 100644
--- a/README.md
+++ b/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())
 ```