Class CrystalSearch


public class CrystalSearch extends AlgorithmsCommand
The CrystalSearch script searches for minimum energy polymorphs for a given space group.
Usage:
ffxc test.CrystalSearch [options] <filename>
  • Constructor Details

    • CrystalSearch

      public CrystalSearch()
      CrystalSearch Constructor.
    • CrystalSearch

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

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