How to store pair properties like overlap, contact force in a variable?

Submitted by Adithya Ramgopal on Fri, 12/21/2018 - 15:32

Hello all,

I want to store the computed pairwise properties like overlap and contact force in a variable . Since they are not per-atom property and as they are vectors , I am unable to store them in a variable. How can it be done? I can use the data from dump but the need for storing in the variable is because I want to use these contact data (overlap , contact forces) in real time during the simulation. Even if there is no possibility of storing those data in a variable suggest me some ideas of using those data in real time run. I want to simulate something based on the contact data which I can't do without storing the data in a variable.
Kindly reply if anyone has any idea about this.

Thanks in Advance.

zumack | Sun, 12/30/2018 - 07:20

Im working in something similar, so asking to you, Im using the command dump local after used the command compute. Like This:

compute fc all pair/gran/local id pos force force_normal force_tangential contactArea delta

dump fc2 all local 1000 post5/fc*.vtk c_fc[1] c_fc[2] c_fc[3] c_fc[4] c_fc[5] c_fc[6] c_fc[7] c_fc[8] c_fc[9] c_fc[10] c_fc[11] c_fc[12]

So, in this dump file you have in columns the information, corresponding to respective atom pair. After that I hope to use the information in Matlab to post process.

I dont know how to calculate the variables at the time simulation, Im looking for that isuue too. Did you solve that?. Please help me.

Anyway, have a great year 2019 !

Zumack