I am simulating the reaction of atomic oxygen with a polymer (Kapton). I am bombarding teh Kapton surface with atom sof oxygen at 5eV. To analyse the reaction I am using ReaxFF potential.
I am interested in how many atoms of oxygen will be deflected on the Kapton surface. My idea is to compute the molecules present above the kapton, find atoms of oxygen that remain alone (that do not react) and count the number of oxygen atoms that have a positive velocity in z direction.
I was wondering if there is a way that when performing fix reaxff/species command, to print the velocity of each molecule. Or if i can use another command after the fix reaxff/species to compute the velocities of each molecule. I know this is easy with chunks but I think I cannot work with chunk as I am using ReaxFF potential.