Merge pull request #355 from SchrodingersCattt/chore/refactor-binary-search

chore: refactor default upper limit in binary search

Author: anyangml

lambench/tasks/calculator/inference_efficiency/inference_efficiency.py

@@ -16,7 +16,10 @@
 
 
 def run_inference(
-    model: ASEModel, test_data: Path, warmup_ratio: float, natoms_upper_limit: int
+    model: ASEModel,
+    test_data: Path,
+    warmup_ratio: float,
+    natoms_upper_limit: int = 1000,
 ) -> dict[str, dict[str, float]]:
     """
     Inference for all trajectories, return average time and success rate for each system.