Dear All,
I want to make sure whether timestep for ReaxFF should be around 0.02 instead of 1 fs as other potential. Is it true?
Is there one could explain the reason clearly?
best regards,
Dear All,
I want to make sure whether timestep for ReaxFF should be around 0.02 instead of 1 fs as other potential. Is it true?
Is there one could explain the reason clearly?
best regards,
If you look at the 2 examples in examples/reax,
neither of them use that small of timestep.
Steve