fix bond/break and atom types

You can keep track of the distances during a bond break or you can find out which bonds have been broken after the run by analyzing the topology.

You can use simple any scripting language (to find out the distance between atoms) to analyze or use existing lammps features for this (computes).

After which you can use the set command to change it to whatever type you want.

Hope this helps


The fix bond/break also prints out the statistics of bond breakage

ok. Scripting to reassign the types is something that I am trying to do. Thanks for the help