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Fixing spin_constraint
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sudarsan-surendralal committed Aug 31, 2020
1 parent 102863a commit 88e25ee
Showing 1 changed file with 2 additions and 5 deletions.
7 changes: 2 additions & 5 deletions pyiron/vasp/base.py
Expand Up @@ -142,13 +142,10 @@ def exchange_correlation_functional(self, val):
@property
def spin_constraints(self):
"""
Returns True if the calculation is spin polarized
Returns True if the calculation is spin constrained
"""
if "I_CONSTRAINED_M" in self.input.incar._dataset["Parameter"]:
return (
self.input.incar["I_CONSTRAINED_M"] == 1
or self.input.incar["I_CONSTRAINED_M"] == 2
)
return (self.input.incar["I_CONSTRAINED_M"] >= 1)
else:
return False

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