ERROR: Atom sorting has bin size = 0.0 (../atom.cpp:1683) lammps

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1

We are modifying the pair style SW to make our new VMM style and got the above error. My guess is that somehow our value for the pair style cutoff is not getting sent to the atoms part of the code. However, I can’t see how SW gets it’s cutoff to the relevant portions of the code to generate the neighbor list. How does it do this?

thanks much
matthew

2

We are modifying the pair style SW to make our new VMM style and got the
above error. My guess is that somehow our value for the pair style cutoff is
not getting sent to the atoms part of the code. However, I can't see how SW
gets it's cutoff to the relevant portions of the code to generate the
neighbor list. How does it do this?

Pair::init() calls

double Pair::init_one(int i, int j)

for each pair of atom types and returns returns the cutoff for that pair.

axel.