diff --git a/janus_core/mlip_calculators.py b/janus_core/mlip_calculators.py index 3eed650f..2ef4b3b1 100644 --- a/janus_core/mlip_calculators.py +++ b/janus_core/mlip_calculators.py @@ -16,7 +16,7 @@ def choose_calculator( architecture: Literal[architectures] = "mace", - device: Literal[devices] = "cuda", + device: Literal[devices] = "cpu", **kwargs, ) -> Calculator: """ @@ -27,7 +27,7 @@ def choose_calculator( architecture : Literal[architectures], optional MLIP architecture. Default is "mace". device : Literal[devices] - Device to run calculator on. Default is "cuda". + Device to run calculator on. Default is "cpu". **kwargs Additional keyword arguments passed to the selected calculator.