change float dtype in test_run_train_foundation

ACEsuit · Sep 2, 2024 · 4e0cc27 · 4e0cc27
1 parent d0a36a1
commit 4e0cc27
Showing 1 changed file with 3 additions and 3 deletions.
diff --git a/tests/test_run_train.py b/tests/test_run_train.py
@@ -397,7 +397,7 @@ def test_run_train_foundation(tmp_path, fitting_configs):
     mace_params["foundation_model"] = "small"
     mace_params["hidden_irreps"] = "128x0e"
     mace_params["r_max"] = 6.0
-    mace_params["default_dtype"] = "float32"
+    mace_params["default_dtype"] = "float64"
     mace_params["num_radial_basis"] = 10
     mace_params["interaction_first"] = "RealAgnosticResidualInteractionBlock"
     mace_params["multiheads_finetuning"] = False
@@ -427,7 +427,7 @@ def test_run_train_foundation(tmp_path, fitting_configs):
     assert p.returncode == 0
 
     calc = MACECalculator(
-        tmp_path / "MACE.model", device="cpu", default_dtype="float32"
+        tmp_path / "MACE.model", device="cpu", default_dtype="float64"
     )
 
     Es = []
@@ -536,7 +536,7 @@ def test_run_train_foundation_multihead(tmp_path, fitting_configs):
     assert p.returncode == 0
 
     calc = MACECalculator(
-        tmp_path / "MACE.model", device="cpu", default_dtype="float32"
+        tmp_path / "MACE.model", device="cpu", default_dtype="float64"
     )
 
     Es = []