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mlip-arena

Running

Yuan (Cyrus) Chiang commited on Dec 20, 2024

Commit

84a2a83

unverified ·

1 Parent(s): a671cbd

fix file base (#33)

Files changed (1) hide show

mlip_arena/tasks/eos_alloy/flow.py CHANGED Viewed

@@ -69,7 +69,7 @@ def save_to_hdf(
         fpath = Path(fpath)
         fpath = fpath.with_stem(fpath.stem + f"_{calculator_name}")
-        family_path = Path(__file__) / REGISTRY[calculator_name]["family"]
         family_path.mkdir(parents=True, exist_ok=True)
         with open(family_path / f"{calculator_name}_{formula}.json", "w") as f:

         fpath = Path(fpath)
         fpath = fpath.with_stem(fpath.stem + f"_{calculator_name}")
+        family_path = Path(__file__).parent / REGISTRY[calculator_name]["family"]
         family_path.mkdir(parents=True, exist_ok=True)
         with open(family_path / f"{calculator_name}_{formula}.json", "w") as f: