[lammps-users] restart2data with AIREBO

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1

Hello all,

I was performing some long simulations with the AI-REBO potential and
got LAMMPS to write some restart files of the model so I can avoid the
minimization steps later. I compiled restart2data.cpp and tried to use
it on the restart file, but got the message "ERROR: Unknown pair style
airebo". I tracked this down in the code, but I'm not familiar enough
with the format to write the needed if pair == "airebo" clause to handle
it. Has anyone done this already? Could we get this included into the
main release?

Thanks,

Dusty Majure

2

Just posted a 28Mar08 patch. Note that airebo (and other
similar file-based potentials) aren't really stored in the restart
file. They just need to be skipped.

Steve