Hi LAMMPS developers and users,
Let’s say I want to define a charge on an isolated system (non pbc) via
set type 1 charge [some value], to perform a subsequent charge equilibration with fix qeq/reaxff. After running some tests I found an issue: I was expecting, as result, an equilibrated charge distribution having a net charge as defined at the beginning of the simulation, however what I get is net charge equal to zero, always. Is this an intended behavior? Am I missing something?
With kind regards,