Merge pull request #747 from JaGeo/main

Fix Lobster Task Tests
hackingmaterials · Feb 16, 2022 · cce5005 · cce5005
2 parents 6ca81a7 + 8ba491e
commit cce5005
Showing 1 changed file with 2 additions and 1 deletion.
diff --git a/atomate/vasp/firetasks/tests/test_lobster_tasks.py b/atomate/vasp/firetasks/tests/test_lobster_tasks.py
@@ -54,6 +54,7 @@ def test_ioset_explicit(self):
             potcar_path="POTCAR.gz",
             incar_path="INCAR.gz",
             option="standard",
+            user_lobsterin_settings={"COHPEndEnergy": 5.0, "COHPStartEnergy": -15.0},
         )
         ft = load_object(ft.to_dict())  # simulate database insertion
         ft.run_task({})
@@ -69,7 +70,7 @@ def test_ioset_settings(self):
             potcar_path="POTCAR.gz",
             incar_path="INCAR.gz",
             option="standard",
-            user_lobsterin_settings={"COHPEndEnergy": 10.0},
+            user_lobsterin_settings={"COHPEndEnergy": 10.0, "COHPStartEnergy": -15.0},
         )
         ft = load_object(ft.to_dict())  # simulate database insertion
         ft.run_task({})