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update KSPACING in test per pymatgen #2163 change
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atomate/vasp/workflows/tests/test_vasp_workflows.py

Lines changed: 2 additions & 2 deletions
Original file line numberDiff line numberDiff line change
@@ -630,7 +630,7 @@ def test_SCAN_no_bandgap(self):
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def test_SCAN_small_bandgap(self):
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# A structure with a small bandgap (LiH) should result in a KSPACING
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# value of 0.34292
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# value of 0.40503
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structure = Structure.from_file(
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os.path.join(reference_dir, "PBESol_pre_opt_for_SCAN_LiH/inputs", "POSCAR")
@@ -671,7 +671,7 @@ def test_SCAN_small_bandgap(self):
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incar = Incar.from_file(os.path.join(self._get_launch_dir()[1], "INCAR.gz"))
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for p in incar.keys():
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if p == "KSPACING":
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self.assertAlmostEqual(incar[p], 0.34292, 4)
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self.assertAlmostEqual(incar[p], 0.40503, 4)
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elif p == "SIGMA":
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self.assertEqual(incar[p], 0.05)
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elif p == "ICHARG":

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