Supercell selection in offline training for 2 different systems

[taidbui]

Hi,

I am testing offline training for two different dft.xyz files from two different systems (e.g., system1 with H2 only, system2 with Pt only). According to the tutorial, we need to set

supercell: 
    file: H2_otf_dft.xyz                                          # Use previously generated DFT frames as input
    format: extxyz
    index: 0
    replicate: [1, 1, 1]                                                        # Do not replicate periodically
    jitter: 0.0      

And we run a Fake MD, specifying 2 dft.xyz files:

otf: 
    mode: fresh                                                                 # Start from empty SGP
    md_engine: Fake                                                             # Do not perform MD, just read frames sequentially
    md_kwargs: 
        filenames: [H2_otf_dft.xyz, Pt_otf_dft.xyz]
        format: extxyz
        index: ":"
        io_kwargs: {}

I am wondering if I set up the yaml file correctly as I can only use H2_otf_dft.xyz or Pt_otf_dft.xyz for the file under supercell.

Thanks