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adapted tests to fit new behaviour
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5 files changed

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-12
lines changed
  • atomate/vasp

5 files changed

+0
-12
lines changed

atomate/vasp/test_files/PBESol_pre_opt_for_SCAN_Al/inputs/INCAR

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Original file line numberDiff line numberDiff line change
@@ -19,7 +19,6 @@ LREAL = Auto
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LVTOT = True
2020
LWAVE = False
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MAGMOM = 1*0.0
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METAGGA = None
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NELM = 200
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NSW = 99
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PREC = Accurate

atomate/vasp/test_files/PBESol_pre_opt_for_SCAN_LiF/inputs/INCAR

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Original file line numberDiff line numberDiff line change
@@ -19,7 +19,6 @@ LREAL = Auto
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LVTOT = True
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LWAVE = False
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MAGMOM = 2*0.0
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METAGGA = None
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NELM = 200
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NSW = 99
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PREC = Accurate

atomate/vasp/test_files/PBESol_pre_opt_for_SCAN_LiF_vdw/inputs/INCAR

Lines changed: 0 additions & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -19,7 +19,6 @@ LREAL = Auto
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LVTOT = True
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LWAVE = False
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MAGMOM = 2*0.0
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METAGGA = None
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NELM = 200
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NSW = 99
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PREC = Accurate

atomate/vasp/test_files/PBESol_pre_opt_for_SCAN_LiH/inputs/INCAR

Lines changed: 0 additions & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -19,7 +19,6 @@ LREAL = Auto
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LVTOT = True
2020
LWAVE = False
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MAGMOM = 2*-0.0
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METAGGA = None
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NELM = 200
2423
NSW = 99
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PREC = Accurate

atomate/vasp/workflows/tests/test_vasp_workflows.py

Lines changed: 0 additions & 8 deletions
Original file line numberDiff line numberDiff line change
@@ -587,8 +587,6 @@ def test_SCAN_no_bandgap(self):
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self.assertEqual(incar[p], 0.22)
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elif p == "ICHARG" or p == "ISTART":
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self.assertEqual(incar[p], 1)
590-
elif p == "METAGGA":
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self.assertEqual(incar[p], "None")
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elif p == "GGA":
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self.assertEqual(incar[p], "Ps")
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elif p == "EDIFFG":
@@ -644,8 +642,6 @@ def test_SCAN_small_bandgap(self):
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self.assertEqual(incar[p], 0.22)
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elif p == "ICHARG" or p == "ISTART":
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self.assertEqual(incar[p], 1)
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elif p == "METAGGA":
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self.assertEqual(incar[p], "None")
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elif p == "GGA":
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self.assertEqual(incar[p], "Ps")
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elif p == "EDIFFG":
@@ -703,8 +699,6 @@ def test_SCAN_large_bandgap(self):
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self.assertEqual(incar[p], 0.22)
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elif p == "ICHARG" or p == "ISTART":
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self.assertEqual(incar[p], 1)
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elif p == "METAGGA":
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self.assertEqual(incar[p], "None")
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elif p == "GGA":
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self.assertEqual(incar[p], "Ps")
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elif p == "EDIFFG":
@@ -780,8 +774,6 @@ def test_SCAN_with_vdw(self):
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self.assertEqual(incar[p], 0.22)
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elif p == "ICHARG":
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self.assertEqual(incar[p], 1)
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elif p == "METAGGA":
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self.assertEqual(incar[p], "None")
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elif p == "GGA":
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self.assertEqual(incar[p], "Ps")
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elif p == "EDIFFG":

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