Fix bugg

metatensor · Sep 25, 2024 · 478eb8f · 478eb8f
1 parent d62fbc2
commit 478eb8f
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Showing 2 changed files with 4 additions and 6 deletions.
diff --git a/src/metatrain/utils/additive/composition.py b/src/metatrain/utils/additive/composition.py
@@ -90,14 +90,14 @@ def train_model(
             raise ValueError(
                 "Provided `datasets` contains unknown "
                 f"atomic types {additional_types}. "
-                f"Known types from initilaization are {self.atomic_types}."
+                f"Known types from initialization are {self.atomic_types}."
             )
 
         missing_types = sorted(set(self.atomic_types) - set(get_atomic_types(datasets)))
         if missing_types:
             warnings.warn(
                 f"Provided `datasets` do not contain atomic types {missing_types}. "
-                f"Known types from initilaization are {self.atomic_types}.",
+                f"Known types from initialization are {self.atomic_types}.",
                 stacklevel=2,
             )
 

diff --git a/tests/resources/options.yaml b/tests/resources/options.yaml
@@ -2,19 +2,17 @@ seed: 42
 
 architecture:
   name: experimental.soap_bpnn
-  model:
-    zbl: true
   training:
     batch_size: 2
     num_epochs: 1
 
 training_set:
   systems:
-    read_from: ethanol_reduced_100.xyz
+    read_from: qm9_reduced_100.xyz
     length_unit: angstrom
   targets:
     energy:
-      key: energy
+      key: U0
       unit: eV
 
 test_set: 0.5