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LIGGGHTS 3.X vs. LIGGGHTS 2.X - syntax changes

Introduction:

This is a short outline of the most important changes in LIGGGHTS 3.X compared to LIGGGHTS 2.X regarding the syntax of major commands. The motivation for these changes was to make the script language more readable and to improve extendability (in the sense of object oriented programming) with respect to modelling approaches.

Commands covered by this tutorial:

  • fix wall/gran/*
  • pair_style gran/*

    Changes in syntax for each command:

    Changes are indicated as follows

    OLD: old_syntax
    NEW: new_syntax  
    

    where old_syntax refers to the syntax used in LIGGGHTS 2.X and before, and new_syntax refers to the syntax used in LIGGGHTS 3.X.


    fix wall/gran/*:

    OLD: fix ID group-ID wall/gran/* WALL-OPTIONS
    NEW: fix ID group-ID wall/gran MODEL-SELECTION WALL-OPTIONS MODEL-SETTINGS 
    

    MODEL-SELECTION

    MODEL-SELECTION = model M [tangential T] [cohesion C] [rolling_friction R] 
    
    M = hooke | hooke_stiffness | hooke_hysteresis | hertz | hertz_stiffness 
    
    T = no_history | history 
    
    C = off | sjkr | sjkr2 | hamaker 
    
    R = off | cdt | epsd 
    

    MODEL-SETTINGS

    MODEL-SELECTION = [tangential_damping (on|off)] [absolute_damping (on|off)] [viscous (on|off)] 
    

    Examples

    OLD: fix ID group-ID wall/gran/hertz/history mesh n_meshes 2 meshes cad1 cad2
    NEW: fix ID group-ID wall/gran model hertz tangential history mesh n_meshes 2 meshes cad1 cad2 
    
    OLD: fix ID1 group-ID wall/gran/hooke/history type 1 xplane -0.5
    NEW: fix ID1 group-ID wall/gran model hooke tangential history type 1 xplane -0.5 
    
    OLD: fix ID1 group-ID wall/gran/hertz/history primitive type 1 xplane -0.5 rolling_friction cdt
    NEW: fix ID1 group-ID wall/gran model hertz tangential history rolling_friction cdt primitive type 1 xplane -0.5 
    
    OLD: fix ID group-ID wall/gran/hertz/history primitive type 1 xplane -0.5 0.5 cohesion sjkr
    NEW: fix ID group-ID wall/gran model hertz tangential history cohesion sjkr primitive type 1 xplane -0.5 0.5  
    
    OLD: fix ID group-ID wall/gran/hertz/history primitive type 1 zcylinder 0.05 0. 0. tangential_damping off
    NEW: fix ID group-ID wall/gran model hertz tangential history primitive type 1 zcylinder 0.05 0. 0. tangential_damping off 
    

    pair_style gran/*:

    OLD: pair_style gran/* MODEL-SETTINGS
    NEW: pair_style gran  MODEL-SELECTION MODEL-SETTINGS 
    

    MODEL-SELECTION

    Same as in fix wall/gran/*

    MODEL-SETTINGS

    Same as in fix wall/gran/*

    Examples

    OLD: pair_style gran/hertz/history
    NEW: pair_style gran model hertz tangential history 
    
    OLD: pair_style gran/hertz/history rolling_friction cdt
    NEW: pair_style gran model hertz tangential history rolling_friction cdt  
    
    OLD: pair_style gran/hertz/history cohesion sjkr
    NEW: pair_style gran model hertz tangential history cohesion sjkr   
    
    OLD: pair_style gran/hertz/history tangential_damping off
    OLD: pair_style gran model hertz tangential history tangential_damping off