How to train non-periodic structures

[caolz]

I want to know how to train non-periodic structures such as clusters, can I not provide the box.raw file?

[njzjz]

You can put an empty nopbc file under the system directory.

box file may be necessary but will be never used.

See the example here https://github.com/tongzhugroup/NNREAX/blob/master/dodecane/dodecane_v1.tar.bz2

[caolz]

Thanks for the reply, I get it.