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Description
Email (Optional)
No response
Version
2023.9.9
Which OS(es) are you using?
- MacOS
- Windows
- Linux
What happened?
1、I encountered an error while running the nnp. train() code snippet。(RuntimeError: NNP Trainer has not been found.)
Code snippet
from maml.apps.pes import NNPotential
nnp = NNPotential()
nnp.train(
train_structures=train_structures,
train_energies=train_energies,
train_forces=train_forces,
cutoff_type=1,
atom_energy={"Ni": -3.0, "Mo": -4.14},
r_etas=[0.5, 2.0],
a_etas=[0.5, 2.0],
r_shift=[0.0],
zetas=[1.0, 4.0],
r_cut=4.2,
hidden_layers=[4, 4],
epochs=5,
)
Log output
No response
Code of Conduct
- I agree to follow this project's Code of Conduct