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[lammps-users] Evaluating bond force using atom_style charge and pair_style reax/c
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[lammps-users] Evaluating bond force using atom_style charge and pair_style reax/c


From: Anubhav Roy <aroy13@...3211...>
Date: Thu, 31 Aug 2017 18:58:21 -0500

Hi,
 I am Anubhav Roy. I am working on a fracture problem of a graphene sheet. I am interested to know the force of interaction between i-th and j-th atoms where i & j varies from 1 to N where N is the total no of atoms in the system. Best command I could use to evaluate that is by compute bond/local but that command is invalid with atom_style charge. But changing the atom_style from charge to bond is not allowing to use the command pair_style reax/c. So how to solve this issue and what should be the best way to do that. 
Yours Truly
Anubhav Roy