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Pair-potential models

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Using potableΒΆ

This section of the user-guide will start by first explaining pair-potential tabulation before moving on to describe many body potentials, these contain additional terms that add more complexity to their tabulation.

  • Pair-potential models
    • File Structure
      • [Tabulation] section
        • Defining table cut-off
      • [Pair] section
        • Pre-defined potential-forms
        • Potential modifiers
        • Multi-range potentials
      • [Potential-Form] section
        • Formula syntax
          • pymath formula example
        • Example: using custom-potential forms to define Basak potential
        • Alternative descriptions
      • [Table-Form] section
        • Defining a Table Form
          • Example: [Table-Form] pair-potential
    • Combining potentials
      • Multi-range potential examples
        • Example: truncating a potential
        • Example: truncating using if() statement
        • Example: parametrising a model using published spline coefficients
      • Splining
        • Exponential Spline exp_spline
          • Example: splining to the zbl potential form using exp_spline
        • Buckingham-4 Spline buck4_spline
          • Relationship to as.buck4 potential-form
          • Example: redefining the Morelon model using buck4_spline
  • Many body models
    • [EAM-Density]
      • Example
    • [EAM-Embed]
      • Example
    • Standard EAM Examples
    • Finnis-Sinclair Style EAM Models
      • Example
        • Standard EAM
        • Finnis-Sinclair
    • ADP Style EAM Models
  • Troubleshooting Potable Input Files
    • Checking tabulated functions

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