Monte Carlo swaps of bonds using Metropolis criterion

LAMMPS LAMMPS Beginners
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1

Hello all!

I have a question on being able to utilize a fix for bond swaps. The description given for the fix atom/swap which performs X swaps of atoms of one type with another type using Monte Carlo probability based on Metropolis criterion.

I am hoping to use this same function except instead of swapping atoms, I would like to swap atom types.

Is there a possibility to do this with some alteration/out of the box for an MC+MD simulation?

Thank you

2

I don’t understand the difference. The identity of an atom in LAMMPS is tied to the atom type. So swapping two atoms of the same type is like not swapping them at all. Similarly, fix atom/swap does just swap atoms by swapping their types.

Please explain what this has to do with your subject line where you are asking about swapping bonds.