Dear Lammps Users
Is there a way to minimize lets say two atoms to have the similar x and y coordinates with a tolerance and allowing z coordinate to fully relax.
as an example
x, x1 , y , y1 should me simillar say a tolerance of +/- 0.2 Angstrom and allowing z1 and z to completely relax. I don’t want to completely freeze the x and y coordinates.
Computational materials chemistry and Computer programming
University of Connecticut
Department of Chemistry
55 N Eagleville road