fix write benchmark generation beyond runs in jobflow

autoatml · Dec 25, 2024 · 21f8ca2 · 21f8ca2
1 parent 624f762
commit 21f8ca2
Show file tree

Hide file tree

Showing 2 changed files with 3 additions and 3 deletions.
diff --git a/src/autoplex/auto/phonons/jobs.py b/src/autoplex/auto/phonons/jobs.py
@@ -242,9 +242,10 @@ def complete_benchmark(  # this function was put here to prevent circular import
 
     for path in ml_path:
         suffix = Path(path).name
+        print(suffix)
         if suffix == "without_regularization":
             suffix = "without_reg"
-        if re.match(r"job_\d{4}-\d{2}-\d{2}-\d{2}-\d{2}-\d{2}-\d{6}-\d{5}", suffix):
+        if suffix not in ["phonon", "rattled"]:
             suffix = ""
 
         if phonon_displacement_maker is None:

diff --git a/src/autoplex/fitting/common/utils.py b/src/autoplex/fitting/common/utils.py
@@ -124,8 +124,7 @@ def gap_fitting(
     train_data_path = os.path.join(db_dir, train_name)
     test_data_path = os.path.join(db_dir, test_name)
 
-    print(train_data_path)
-    print(test_data_path)
+
     default_hyperparameters = load_mlip_hyperparameter_defaults(
         mlip_fit_parameter_file_path=path_to_hyperparameters
     )