Class LikelihoodCalculator.PotentialOptimizer

java.lang.Object
_global.tri.oxidationstates.calculator.likelihood.LikelihoodCalculator.PotentialOptimizer
Enclosing class:
LikelihoodCalculator

public class LikelihoodCalculator.PotentialOptimizer extends Object
This class is used to idnetify the electronic chemical potential that maximizes the likelihood score
  • Method Details

    • getOptimalFermiLevel

      public double getOptimalFermiLevel()
      Returns the electronic chemical potential that maximizes the likelihood score
      Returns:
      the electronic chemical potential that maximizes the likelihood score
    • getMaxLikelihood

      public double getMaxLikelihood()
      Returns the likelihood score at the optimal electronic chemical potential (i.e. the maximum likelihood score)
      Returns:
      the likelihood score at the optimal electronic chemical potential (i.e. the maximum likelihood score)