Arkadiy Simonov
Arkadiy Simonov
Dear developers, was there any update on this issue?
Sorry, it doesn't work for me currently FLARE (ACE descriptors + sparse GP) with LAMMPS
Sorting might be nice, but i don't think it is necessary, but since the value of intensity is scaled (and is thus not in photons) I would simply add 1...
Ooops, Sorry, pressed the wrong button. Could you reopen the issue please?
> The main reason is because it is a nasty hack. I don't want to be responsible for software where iteration between dials.export format=xds and dials.import_xds creates SPOT.XDS files with...
Thank you.