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Table of contents

  • 1. General
  • 2. Tutorials: Getting Started
  • 3. Tutorials: ReaxFF & DFTB
  • 4. Tutorials: Advanced ParAMS
  • 5. Input file: params.in
  • 6. ParAMS Main Script
  • 7. Python Classes and Functions
    • 7.1. Results Importer
    • 7.2. Extractors and Comparators
    • 7.3. Parameter Interfaces
    • 7.4. ParAMSJob
    • 7.5. ParAMSResults
    • 7.6. Job and Engine Collections
    • 7.7. Data Set
    • 7.8. Data Set Evaluator
    • 7.9. Utilities
      • 7.9.1. ParAMS Converters
      • 7.9.2. Plotting Functions
      • 7.9.3. Helper functions
      • 7.9.4. Weights schemes
    • 7.10. Internal ParAMS classes
  • 8. User Interventions
  • 9. Required Citations
  • 10. Frequently Asked Questions
ParAMS
  • Documentation/
  • ParAMS/
  • 7. Python Classes and Functions/
  • 7.9. Utilities

7.9. UtilitiesΒΆ

General public classes and functions.

  • 7.9.1. ParAMS Converters
    • 7.9.1.1. AMS Job to Settings
    • 7.9.1.2. AMS Job to Engine
  • 7.9.2. Plotting Functions
  • 7.9.3. Helper functions
  • 7.9.4. Weights schemes
    • 7.9.4.1. Types of weights schemes
    • 7.9.4.2. Examples of weight schemes
    • 7.9.4.3. Weights schemes API
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