Dear Lammps-Users,
I am writing to inquire if anyone has used the pair style polymorphic to allow for multi-angle minima in the three-body term.
I am able to implement the pair style for a standard Stillinger-Weber potential and minimize the structures to the correct angles. However, when I modify the G(theta) function to promote three minima or prefered angles, the structures do not minimize to the correct angles. In fact, the structures minimize to the maxima of the given function. I have simplified my system such that there are only three particles, and have arranged the three particles to have starting configurations either close to or exactly at the preferred minima. And yet, the minimized, three particles still diverge to penalized angles.
I can send the input files or the plot of the three body function I am attempting to implement if that would be helpful. Thank you in advance for any feedback or help you can provide.
Best,
Samantha Walker