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Calculation of stress in graphene

Posted in CategoryMD (LAMMPS)
  • A
    Animesh Srivastava 1 month ago

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

  • M
    Minkyu Park 1 month 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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