How to apply displacement to a set of atoms or cell boundaries via scripting?
I need to apply certain displacement to a set of atoms (either isolated or in a box with PBC) via scripting, for pull-out, tensile of buckling simulations, and calculate force, stress strain, energy, etc. Is there any way to do this in MS?
Dear Jason, Thank you for your useful answer, and sorry for late response. I wonder if it is possible to apply the displacement gradually with a specific rate not suddenly, like the quasi-static tensile test.