On computing the non-contacting force between two interacting particles

Submitted by XIA Huihuang on Thu, 04/04/2019 - 16:39

Dear all,

I just implemented the Van Der Waals force model on LIGGGHTS. In order to validate my numerical model, I need to know the non-contacting van der Waals force between two interacting particles in LIGGGHTS.

Actually, I tried to compute the aforementioned force using 'compute 1 all pair/gran/local id force' in LIGGGHTS, however, the results only contain some contacting forces.

I would like to know whether LIGGGHTS can output or compute this type of non-contacting force now? If not, I need to write a 'fix' function to write this kind of forces?

I am glad to hear any suggestions on this issue.

With kind regards,
Huihuang