Dear LAMMPS USERS
I wanted to ask a question about the minimizer in Lammps. Is it possible that the minimizer gives a status of energy tolerance even if it is in a local minimum not a global minimum?
a minimizer algorithm cannot not know whether a minimum is a local or global minimum.
And if that is possible and happens, is there is another way to fix that other than changing the starting configuration ?
the only reliable way to identify a global minimum would be to sample the entire phase space, however that is usually of such a high dimensionality, that it is practically impossible.
For example using a damped dynamics method ?
both, the quickmin and fire style minimizer styles are damped dynamics methods. However, all of the above applies to them just as well as to the other minimization algorthims.