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fix pytest
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kenko911 committed Sep 28, 2024
1 parent 0409a70 commit 83a8ae7
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2 changes: 1 addition & 1 deletion m3gnet/models/_dynamics.py
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Expand Up @@ -25,9 +25,9 @@
from pymatgen.core.structure import Molecule, Structure
from pymatgen.io.ase import AseAtomsAdaptor

from m3gnet.layers import AtomRef
from ._base import Potential
from ._m3gnet import M3GNet
from m3gnet.layers import AtomRef

OPTIMIZERS = {
"FIRE": FIRE,
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2 changes: 1 addition & 1 deletion m3gnet/models/tests/test_model.py
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Expand Up @@ -20,7 +20,7 @@ def setUpClass(cls) -> None:
cls.atoms = Atoms(["Mo", "Mo"], [[0, 0, 0], [0.5, 0.5, 0.5]], cell=np.eye(3) * 3.30, pbc=True)
cls.single_atoms = Structure(Lattice.cubic(6.0), ["Mo"], [[0, 0, 0]])

cls.mfi_model = M3GNet(is_intensive=False, state_embedding_dim=16, n_type_states=2)
cls.mfi_model = M3GNet(is_intensive=False, state_embedding_dim=16, n_state_types=2)
cls.mfi_potential = Potential(model=cls.mfi_model)
cls.state_attr = np.array([1])

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