fix wrong cutoff in unittest for gp_from_aimd

mir-group · Apr 23, 2020 · 27e8c4c · 27e8c4c
1 parent adff7be
commit 27e8c4c
Showing 1 changed file with 5 additions and 5 deletions.
diff --git a/tests/test_gp_from_aimd.py b/tests/test_gp_from_aimd.py
@@ -42,7 +42,7 @@ def methanol_gp():
 def fake_gp():
     return GaussianProcess(kernel_name="2+3",
                            hyps=np.array([1]),
-                           cutoffs=np.array([]))
+                           cutoffs=np.array([4, 3]))
 
 
 def test_instantiation_of_trajectory_trainer(fake_gp):
@@ -51,12 +51,12 @@ def test_instantiation_of_trajectory_trainer(fake_gp):
     assert isinstance(a, TrajectoryTrainer)
 
     fake_gp.parallel = True
-    _ = TrajectoryTrainer([], fake_gp, parallel=True, calculate_energy=True)
-    _ = TrajectoryTrainer([], fake_gp, parallel=True, calculate_energy=False)
+    _ = TrajectoryTrainer([], fake_gp, n_cpus=2, calculate_energy=True)
+    _ = TrajectoryTrainer([], fake_gp, n_cpus=2, calculate_energy=False)
 
     fake_gp.parallel = False
-    _ = TrajectoryTrainer([], fake_gp, parallel=False, calculate_energy=True)
-    _ = TrajectoryTrainer([], fake_gp, parallel=False, calculate_energy=False)
+    _ = TrajectoryTrainer([], fake_gp, n_cpus=2, calculate_energy=True)
+    _ = TrajectoryTrainer([], fake_gp, n_cpus=2, calculate_energy=False)
 
 
 def test_load_trained_gp_and_run(methanol_gp):