Unfortunately I’m not coming to the workshop, but I have been tempted a few times to see if I can add basin-hopping to LAMMPS. I’m not familiar with minima-hopping, is it very similar? Do you think that if I can implenent the one, the other would be simple? If so, I would be willing to look into it in my spare time. I’m not the most experienced developer but if no-one else has time, it’s better than nothing. It would be of great help if I can bother you with algorithm questions every now and then.
I’m not that familiar with the parallelism either, but I can always see how far I can get with stealing/reading bits of code from other fixes and the like. At the very least I can find out how to kludge around it with scatter/gather-functions so I can at least leverage the force/energy computations to parallel LAMMPS, leaving the new code serial.