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update tests
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samwaseda committed Nov 29, 2024
1 parent 5e0418d commit 75f2a7b
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5 changes: 5 additions & 0 deletions tests/unit/test_ase.py
Original file line number Diff line number Diff line change
Expand Up @@ -25,6 +25,11 @@ def test_Ni_Al_bulk(self):
msg="There must be exactly four atoms in cubic fcc",
)

def test_magmom(self):
structure = bulk("Fe", cubic=True)
struct_group = get_structure_group(structure)
self.assertEqual(struct_group["species"]["atom"]["label"][1:-1], "spin_2.3")

def test_constraint_bulk(self):
structure = bulk("Al", cubic=True)
c = FixedPlane([0], [1, 0, 0])
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