TAPS

Modules:

• Paths
  • Overall Structure
  • Load & Save
  • List of all Methods
• Cartesian
  • Array Order
  • Calculate Kinetic energy
  • Cartesian representation
  • Array like
  • List of all Methods
• Model
  • Example
  • Model as a super class
    • Cache
  • Model as a subclass of Model
    • MullerBrown
      • List of Methods
    • AtomicModel
  • List of all Methods
• Path finder
  • Nudged Elastic Band
  • Direct Action Optimizer
  • Gaussian process assisted action optimizer