Dear LAMMPS users,
I’m facing strange behavior with a simulation that includes a Monte Carlo fix to swap atoms’ chemical species. I looked carefully both in the manual and in the mailing list archive to see whether a similar thing had been already discussed.
In brief, if I continue the simulation from a restart file and I use the same fix-ID for the MC, then the simulation runs as if no MC were present: in the log file, the values of attempted/accepted moves are just zeros. However, if I change the fix-ID or restart from a data file, everything works as expected.
At the following link, there is a small working example: https://drive.google.com/file/d/1z-hEmmO_Du5_VGci1yAqtln0-XL3-ZOx/view?usp=sharing.
I’m using LAMMPS patched as of 29 March 2019.
Any help would be appreciated. I hope I’m not missing something obvious or I didn’t understand that this is somehow a wanted behavior of this fix.