Email (Optional)
No response
Version
2023.9.9
Which OS(es) are you using?
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
Email (Optional)
No response
Version
2023.9.9
Which OS(es) are you using?
What happened?
1、I encountered an error while running the nnp. train() code snippet。(RuntimeError: NNP Trainer has not been found.)
Code snippet
Log output
No response
Code of Conduct