Dear Lammps Users,
I am minimizing a structure using conjugate gradient. Unfortunately, the stopping criterion used is always "linesearch failed"
Do you have any idea of which parameters I can change to improve the minimization?
Thanks,
Sebastien
Dear Lammps Users,
I am minimizing a structure using conjugate gradient. Unfortunately, the stopping criterion used is always "linesearch failed"
Do you have any idea of which parameters I can change to improve the minimization?
Thanks,
Sebastien
The linesearch typically fails b/c a tiny step in the gradient
direction will not reduce the energy. Hence the minimizer
can do no more.
Steve