example-verbose about n2p2 HOT 2 CLOSED

Hmm.. unfortunately I cannot reproduce the error, in my case it finishes without any complaints.

The error message indicates that the symmetry function setup in input.nn is differing from the number of lines in the scaling.data file. Note, that whenever you make changes to the symmetry function setup (adding new ones, deleting some, or even just changing the parameters) you need to recalculate the statistics over the entire data set (use the tool nnp-scaling).

Can you make sure that you have not altered the files before running the example?

If there's still an error, maybe you can debug a little at the position where the error occurs.. this would be at libnnp/SymmetryFunction.cpp at lines 80-84.

from n2p2.

it was a simple oversight on my part while handling files; the original example file "example-verbose.py" is working fine now.
I apologize for the trouble.

from n2p2.