|Date:||Fri, 20 Oct 2017 15:41:17 +0000|
I assume you're referring to the pair interaction force Fij in the Irving-Kirkwood formalism; the single method programmed into most pair potentials can be called to deliver this. In the case of those without the single method template you need, like many-body
potentials which can have an effectively computed pair interaction force, you can define your own version of a pair interaction method as a virtual function in pair that will then be inherited and implemented in the base pair style class. This way you wont
need to copy paste anything about the potential parameters or computation outside of the pair style's implementation.