Remove typecheck from magmom test

Remove the typecheck for MAGMOM being a dict

Author: Andrew-S-Rosen

pymatgen/io/vasp/sets.py

@@ -502,9 +502,6 @@ def incar(self) -> Incar:
 
         for k, v in settings.items():
             if k == "MAGMOM":
-                if isinstance(v, list):
-                    incar[k] = v
-                    continue
                 mag = []
                 for site in structure:
                     if hasattr(site, "magmom"):

pymatgen/io/vasp/tests/test_sets.py

@@ -256,6 +256,13 @@ def test_get_incar(self):
         incar = MITRelaxSet(struct).incar
         self.assertEqual(incar["LDAUU"], [4.0, 0])
 
+        # This seems counterintuitive at first, but even if the prior INCAR has a MAGMOM flag,
+        # because the structure has no site properties, the default MAGMOM is assigned from the
+        # config dictionary.
+        struct = Structure(lattice, ["Fe", "F"], coords)
+        incar = MPRelaxSet(struct, prev_incar=os.path.join(self.TEST_FILES_DIR, "INCAR")).incar
+        self.assertEqual(incar["MAGMOM"], [5, 0.6])
+
         # Make sure this works with species.
         struct = Structure(lattice, ["Fe2+", "O2-"], coords)
         incar = MPRelaxSet(struct).incar
@@ -272,10 +279,6 @@ def test_get_incar(self):
         incar = MPRelaxSet(struct).incar
         self.assertEqual(incar["MAGMOM"], [5, 4.1])
 
-        struct = Structure(lattice, [Species("Fe", 2, {"spin": 4.1}), "Mn"], coords)
-        incar = MPRelaxSet(struct, user_incar_settings={"MAGMOM": [1.0, 1.0]}).incar
-        self.assertEqual(incar["MAGMOM"], [1.0, 1.0])
-
         struct = Structure(lattice, ["Mn3+", "Mn4+"], coords)
         incar = MITRelaxSet(struct).incar
         self.assertEqual(incar["MAGMOM"], [4, 3])
@@ -525,16 +528,6 @@ def test_valid_magmom_struct(self):
             )
             vis.incar.items()
 
-        # Test the behavior of passing in the wrong type of MAGMOM to user_incar_settings
-        struct = self.structure.copy()
-        with pytest.raises(TypeError, match=r"MAGMOM must be supplied"):
-            vis = MPRelaxSet(
-                struct,
-                user_incar_settings={"MAGMOM": [5.0, 5.0]},
-                user_potcar_settings={"Fe": "Fe"},
-            )
-            vis.incar.items()
-
 
 class MPStaticSetTest(PymatgenTest):
     def setUp(self):