API

Internal documentation primarily intended for developers.

• Interfaces
  • optking.opt_helper Module
    • Functions
    • Classes
    • Class Inheritance Diagram
  • optking.optwrapper Module
    • Functions
  • optking.optimize Module
    • Functions
    • Classes
    • Class Inheritance Diagram
• Molecule Classes
  • Molsys
    • Molsys
  • Frag
    • Frag
  • DimerFrag
    • DimerFrag
• Algorithms
  • Methods Implemented
  • Classes and Functions
    • optking.stepAlgorithms Module
    • optking.linesearch Module
    • optking.IRCfollowing Module
• Internal Classes
  • History
    • Step
    • History
  • Backtransformation
    • optking.displace Module