prediction

This keyword instructs nep to evaluate a model against a set of structures without starting an optimization. This requires a nep.txt file, in addition to the nep.in file, to be present. Note that only the structures in train.xyz are included in the prediction. The syntax is:

prediction <mode>

where <mode> must be an integer that can assume one of the following values.

Value	Mode
0	optimization mode (default)
1	prediction mode