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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
8.10. Internal ParAMS classes
8.10.1. Architecture Quick Reference
8.10.2. Optimization
8.10.3. Parallelization
8.10.4. Constraints
8.10.5. Logger
8.10.6. Loss Functions
8.10.7. GloMPO Backend
8.10.8. Experimental Features
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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8.10.
Internal ParAMS classes
8.10.
Internal ParAMS classes
ΒΆ
These classes are intended to be used only by expert users and ParAMS developers.
8.10.1. Architecture Quick Reference
8.10.2. Optimization
8.10.3. Parallelization
8.10.4. Constraints
8.10.5. Logger
8.10.6. Loss Functions
8.10.7. GloMPO Backend
8.10.8. Experimental Features