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Merge pull request #747 from JaGeo/main
Fix Lobster Task Tests
2 parents 6ca81a7 + 8ba491e commit cce5005

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atomate/vasp/firetasks/tests/test_lobster_tasks.py

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Original file line numberDiff line numberDiff line change
@@ -54,6 +54,7 @@ def test_ioset_explicit(self):
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potcar_path="POTCAR.gz",
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incar_path="INCAR.gz",
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option="standard",
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user_lobsterin_settings={"COHPEndEnergy": 5.0, "COHPStartEnergy": -15.0},
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)
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ft = load_object(ft.to_dict()) # simulate database insertion
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ft.run_task({})
@@ -69,7 +70,7 @@ def test_ioset_settings(self):
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potcar_path="POTCAR.gz",
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incar_path="INCAR.gz",
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option="standard",
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user_lobsterin_settings={"COHPEndEnergy": 10.0},
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user_lobsterin_settings={"COHPEndEnergy": 10.0, "COHPStartEnergy": -15.0},
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)
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ft = load_object(ft.to_dict()) # simulate database insertion
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ft.run_task({})

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