TAPS

Modules:

• Paths
  • Overall Structure
  • Load & Save
  • List of all Methods
    • Paths
      • Paths.add_image_data()
      • Paths.copy()
      • Paths.get_accelerations()
      • Paths.get_covariance()
      • Paths.get_distances()
      • Paths.get_forces()
      • Paths.get_gradient()
      • Paths.get_gradients()
      • Paths.get_hessian()
      • Paths.get_higest_energy_idx()
      • Paths.get_image_data()
      • Paths.get_kinetic_energies()
      • Paths.get_kinetic_energy_gradients()
      • Paths.get_lowest_confident_idx()
      • Paths.get_momentums()
      • Paths.get_potential()
      • Paths.get_potential_energies()
      • Paths.get_potential_energy()
      • Paths.get_potentials()
      • Paths.get_properties()
      • Paths.get_total_energy()
      • Paths.get_velocities()
      • Paths.save()
      • Paths.search()
      • Paths.to_pickle()
• Cartesian
  • Array Order
  • Calculate Kinetic energy
  • Cartesian representation
  • Array like
  • List of all Methods
    • Cartesian
      • Cartesian.accelerations()
      • Cartesian.displacements()
      • Cartesian.velocities()
• Model
  • Example
  • Model as a super class
    • Cache
  • Model as a subclass of Model
    • MullerBrown
      • List of Methods
        • MullerBrown
          • MullerBrown.calculate()
  • List of all Methods
• Path finder
  • Nudged Elastic Band
  • Direct Action Optimizer
  • Gaussian process assisted action optimizer