hi dear lammps users.
how can I relax the system through energy minimization constrained to the spherical surface in lammps?
is there any special command or method to do so?
hi dear lammps users.
how can I relax the system through energy minimization constrained to the
spherical surface in lammps?
is there any special command or method to do so?
there is not enough information in your question.
what is it exactly that you want to constrain how? and to what
purpose. if you can provide a little example, it is probably the most
helpful. please keep in mind, that nobody here but you know what your
research is about and thus is lacking all the background information
that may be obvious to you.
minimization just takes the forces and energy of your system and tries
to minimize both according to the selected algorithm.
strict constraints are extremely difficult to implement during
minimization, but it is fairly straightforward to apply or remove
force components to or from your system via several options, most
prominently fix setforce/addforce.
axel.