Class OSTGradient


public class OSTGradient extends AlgorithmsCommand
OSTGradient tests the Orthogonal Space Tempering Potential.
Usage:
ffxc test.OSTGradient [options] <filename>
  • Field Details

    • dUdLError

      public double dUdLError
    • nFailures

      public int nFailures
  • Constructor Details

    • OSTGradient

      public OSTGradient()
      OSTGradient Constructor.
    • OSTGradient

      public OSTGradient(FFXBinding binding)
      OSTGradient Constructor.
      Parameters:
      binding - The Binding to use.
    • OSTGradient

      public OSTGradient(String[] args)
      OSTGradient constructor that sets the command line arguments.
      Parameters:
      args - Command line arguments.
  • Method Details

    • run

      public OSTGradient run()
      Execute this Command.
      Overrides:
      run in class FFXCommand
      Returns:
      The current FFXCommand.
    • getPotentials

      public List<Potential> getPotentials()
      Returns a List of all Potential objects associated with this script.
      Overrides:
      getPotentials in class AlgorithmsCommand
      Returns:
      All Potentials. Sometimes empty, never null.