predict_structure only producing first target when ntargets=2 about megnet HOT 3 CLOSED

@Ash-Pera

The following dummy model gives me a vector of 2 for the prediction, as expected.

from megnet.models import MEGNetModel
from pymatgen import Structure, Lattice
s = Structure(Lattice.cubic(3.16), ['Mo', 'Mo'], [[0., 0., 0.], [0.5, 0.5, 0.5]])

model = MEGNetModel(100, 2, ntarget=2)
model.predict_structure(s)

from megnet.

Thank you for the reply, I will check my model again

from megnet.

Seems to be an issue with how I build my model - sorry to bother you.

from megnet.