8.9. Utilities

General public classes and functions.

• 8.9.1. ParAMS Converters
  • 8.9.1.1. ASE to ParAMS
    • ase_to_params()
  • 8.9.1.2. ParAMS to ASE
    • params_to_ase()
  • 8.9.1.3. AMS Job to Settings
    • ams_to_settings()
  • 8.9.1.4. AMS Job to Engine
    • ams_to_engine()
• 8.9.2. Plotting Functions
  • plot_residuals()
  • plot_predictions()
  • plot_history()
  • plot_contributions()
• 8.9.3. Helper functions
  • get_extractors_for_amsjob()
• 8.9.4. Weights schemes
  • 8.9.4.1. Types of weights schemes
  • 8.9.4.2. Examples of weight schemes
  • 8.9.4.3. Weights schemes API
    • WeightsScheme
      • WeightsScheme.__init__()
      • WeightsScheme.get_weights()
      • WeightsScheme.normalize()
      • WeightsScheme.__str__()
    • WeightsSchemeUniform
      • WeightsSchemeUniform.__init__()
      • WeightsSchemeUniform.get_weights()
      • WeightsSchemeUniform.__str__()
    • WeightsSchemeClip
      • WeightsSchemeClip.__init__()
      • WeightsSchemeClip.get_weights()
      • WeightsSchemeClip.__str__()
    • WeightsSchemeGaussian
      • WeightsSchemeGaussian.__init__()
      • WeightsSchemeGaussian.get_weights()
      • WeightsSchemeGaussian.__str__()
    • WeightsSchemeBoltzmann
      • WeightsSchemeBoltzmann.__init__()
      • WeightsSchemeBoltzmann.get_weights()
      • WeightsSchemeBoltzmann.__str__()