question #72

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1. henrik-dahl-pinholt commented on Jun 19, 2024

   

   henrik-dahl-pinholt

   on Jun 19, 2024

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   I don't think I completely understand your question. Do you mean "what do the parameters represent mathematically"? Or do you mean "where are they defined"?

   If you mean "what do the parameters represent mathematically" you can see the potential (assuming you are referring to the polynomial_repulsive potential) plotted here with the mathematical formula written out. I believe the parameters you ask about are represented in that equation as:

   • REPsigma <-> $R_\mathrm{max}$
   • rmin12 <-> $\sqrt{6/7}$
   • rsc <-> $\frac{r\sqrt{6/7}}{R_\mathrm{max}}$

   If you mean "where are they defined", then you can find their definition a little further down in the code using the function addGlobalParameter

   I hope that clarifies things a bit. If not, don't hesitate to ask clarifying questions.