previous pair_write issue

Please reply to the list, not to me …

There is no equation -> potential option in LAMMPS.

Would be really inefficient I think. That’s really

what pair table is for. If you want to play with

alternate eqs via tabulation you could. My guess

is what is going wrong with your tabulation is

the extreme range it spans and how quickly it

varies (as a function of r). Softer tabulations

might spline better and be more than adequate

for your model. E.g. just trimming off the tiny r

values that are so large might help it spline better.