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[pre-commit.ci] auto fixes from pre-commit.com hooks
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tests/test_vasp_xml.py

Lines changed: 3 additions & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -24,7 +24,9 @@ class TestVaspXmlConvTrue(unittest.TestCase, CompSys, IsPBC):
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def setUp(self):
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self.system_1 = dpdata.LabeledSystem()
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# the first frame is not converged.
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self.system_1.from_vasp_xml("poscars/vasprun.h2o.md.conv.xml", convergence_check=True)
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self.system_1.from_vasp_xml(
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"poscars/vasprun.h2o.md.conv.xml", convergence_check=True
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)
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self.system_2 = dpdata.LabeledSystem()
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self.system_2.from_vasp_xml("poscars/vasprun.h2o.md.xml")
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# check if frames 1:3 match

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