Dear LAMMPS developers,
I have seen that none of fix orient/… commands are invoked during minimization. I find it very strange. What is the reason why LAMMPS made this fix so specific to dynamics?
I want to calculate the stress required to just start the grain boundary moving, you can think of it analogous to the Peierls stress for dislocations. And I want to use fix orient for imposing a uniform driving force across the entire grain boundary. And I cannot do it!
And I cannot do dynamics at 0K to mimic minimization due to the following restriction of fix nvt (and also probably npt): “”
If the reason why the fix is not implemented for energy minimization has something to do with typical “energy minimization” algorithms like cg or sd, then why does it not work for fire or quickmin; they are quenched dynamics routines used for minimization?
I will eagerly await to hear your comments on the issue.
Best regards,
Shankha.