i’m running a calculation with a ReaxFF. The calculations stops and prints out the message:
Maximum nr. of off-diagonal Morse types exceeded
In looking at the source, it looks like the message comes due to the fact that this variable:
NODMTYMDEF = Max number of off-diagonal Morse types
has a dimension that is smaller than the required value for carrying on the calculation.
Does this mean one need to re-define the value for NODMTYMDEF and recompile lammps?