Class MinimizePh


public class MinimizePh extends AlgorithmsCommand
The MinimizePh command uses a limited-memory BFGS algorithm to minimize the energy of a CpHMD molecular system.
Usage:
ffxc test.MinimizePh [options] <filename [file2...]>
  • Constructor Details

    • MinimizePh

      public MinimizePh()
      MinimizePh Constructor.
    • MinimizePh

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

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

    • run

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