Calculation of stress in graphene

Posted In MD (LAMMPS)
  • Animesh Srivastava 2 years ago

    I was doing a simulation of graphene sheet but I I couldn't calculate the stress per atom.  How do I do that ?

  • Animesh Srivastava 2 years ago

    I am doing a simulation in lammps but I couldn't  calculate the stress per do I calculate it ?

  • Minkyu Park 2 years ago

    You may modify/add your input script manually. Please add this line to your input script.

    compute        peratom all stress/atom NULL

    Also, there are update about LAMMPS code this week, please be patient for details. :) 

    Thank you so much, 

    Minkyu Park

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