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Table of contents
1. General
2. Tutorials: Getting Started
3. Tutorials: ReaxFF & DFTB
4. Tutorials: Machine Learning Potentials
5. Tutorials: Advanced ParAMS
6. Input file: params.in
7. ParAMS Main Script
8. Python Classes and Functions
8.1. Results Importer
8.2. Extractors and Comparators
8.3. Parameter Interfaces
8.4. ParAMSJob
8.5. ParAMSResults
8.6. Job and Engine Collections
8.7. Data Set
8.8. Data Set Evaluator
8.9. Utilities
8.9.1. ParAMS Converters
8.9.2. Plotting Functions
8.9.3. Helper functions
8.9.4. Weights schemes
8.10. Internal ParAMS classes
9. User Interventions
10. Required Citations
11. Frequently Asked Questions
ParAMS
Documentation
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ParAMS
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8.
Python Classes and Functions
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8.9.
Utilities
8.9.
Utilities
ΒΆ
General public classes and functions.
8.9.1. ParAMS Converters
8.9.1.1. ASE to ParAMS
8.9.1.2. ParAMS to ASE
8.9.1.3. AMS Job to Settings
8.9.1.4. AMS Job to Engine
8.9.2. Plotting Functions
8.9.3. Helper functions
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