Class UFFDistanceCalc

java.lang.Object
org.jmol.minimize.forcefield.Calculation
org.jmol.minimize.forcefield.UFFDistanceCalc

class UFFDistanceCalc extends Calculation
  • Field Details

    • r0

      double r0
    • kb

      double kb
  • Constructor Details

    • UFFDistanceCalc

      UFFDistanceCalc()
  • Method Details

    • setData

      void setData(javajs.util.Lst<Object[]> calc, int ia, int ib, double bondOrder)
      Overrides:
      setData in class Calculation
      Parameters:
      calc -
      ia -
      ib -
      bondOrder -
    • compute

      double compute(Object[] dataIn)
      Specified by:
      compute in class Calculation