Minimum cell dimensions in training set

[rk-8194]

Hello! Sorry if this has already been asked before, but do the structures which form the training/test datasets for NEP have to be larger than the NEP cut-off radius?

[brucefan1983]

No, the code will expand the structure sufficiently many times when calculating the neighbors, so you can have training strucures of any box size, including few-atom primitive cells.