Class Calculation

    • Field Summary

      Fields 
      Modifier and Type Field Description
      (package private) MinAtom a  
      (package private) MinAtom b  
      (package private) MinAtom c  
      (package private) Calculations calcs  
      (package private) MinAtom d  
      (package private) double[] dData  
      (package private) double dE  
      (package private) double delta  
      (package private) double energy  
      (package private) int ia  
      (package private) int ib  
      (package private) int ic  
      (package private) int id  
      (package private) int[] iData  
      (package private) java.lang.Integer key  
      (package private) double rab  
      (package private) double theta  
    • Constructor Summary

      Constructors 
      Constructor Description
      Calculation()  
    • Method Summary

      All Methods Instance Methods Abstract Methods Concrete Methods 
      Modifier and Type Method Description
      (package private) abstract double compute​(java.lang.Object[] dataIn)  
      (package private) double getEnergy()  
      (package private) void getPointers​(java.lang.Object[] dataIn)  
      (package private) Calculation set​(Calculations calcs)  
      (package private) void setData​(javajs.util.Lst<java.lang.Object[]> calc, int ia, int ib, double d)  
      • Methods inherited from class java.lang.Object

        clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait
    • Constructor Detail

      • Calculation

        Calculation()
    • Method Detail

      • setData

        void setData​(javajs.util.Lst<java.lang.Object[]> calc,
                     int ia,
                     int ib,
                     double d)
        Parameters:
        calc -
        ia -
        ib -
        d -
      • compute

        abstract double compute​(java.lang.Object[] dataIn)
      • getEnergy

        double getEnergy()
      • getPointers

        void getPointers​(java.lang.Object[] dataIn)